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• Alessandrini Silvia, Melosso Mattia, Bizzocchi Luca, Barone Vincenzo, Puzzarini Cristina: The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species. J. Phys. Chem. A 2024, 128, 5833. <https://doi.org/10.1021/acs.jpca.4c01758>
• Ren Xiaochuan, Zou Jingxiang, Li Wei, Li Shuhua: Block-Correlated Coupled Cluster Theory Based on the Generalized Valence Bond Reference for Singlet–Triplet Energy Gaps of Strongly Correlated Systems. J. Phys. Chem. Lett. 2024, 15, 11342. <https://doi.org/10.1021/acs.jpclett.4c02362>
• Stahl Terrence L., Sokolov Alexander Yu.: Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations. The Journal of Chemical Physics 2024, 160. <https://doi.org/10.1063/5.0207684>
• Stahl Terrence L., Banerjee Samragni, Sokolov Alexander Yu.: Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations. The Journal of Chemical Physics 2022, 157. <https://doi.org/10.1063/5.0097333>
• Gulania Sahil, Kjønstad Eirik F., Stanton John F., Koch Henrik, Krylov Anna I.: Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks. The Journal of Chemical Physics 2021, 154. <https://doi.org/10.1063/5.0041822>
• Kitsaras Marios-Petros, Stopkowicz Stella: Spin contamination in MP2 and CC2, a surprising issue. The Journal of Chemical Physics 2021, 154. <https://doi.org/10.1063/5.0044362>
• Bartlett Rodney J., Park Young Choon, Bauman Nicholas P., Melnichuk Ann, Ranasinghe Duminda, Ravi Moneesha, Perera Ajith: Index of multi-determinantal and multi-reference character in coupled-cluster theory. The Journal of Chemical Physics 2020, 153. <https://doi.org/10.1063/5.0029339>
• Saito Toru, Takano Yu: Singlet-Triplet Energy Gaps in Binuclear Copper Complexes and Organic Diradicals by Approximate Spin Projected Spin-unrestricted Coupled Cluster Method. Chem. Lett. 2019, 48, 1441. <https://doi.org/10.1246/cl.190666>
• Lutz Jesse J., Nooijen Marcel, Perera Ajith, Bartlett Rodney J.: Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules. The Journal of Chemical Physics 2018, 148. <https://doi.org/10.1063/1.5025170>
• Saito Toru, Kitagawa Yasutaka, Kawakami Takashi, Yamanaka Shusuke, Okumura Mitsutaka, Takano Yu: Assessment of semi-empirical molecular orbital calculations for describing magnetic interactions. Polyhedron 2017, 136, 52. <https://doi.org/10.1016/j.poly.2017.02.029>
• Datta Dipayan, Gauss Jürgen: Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme. The Journal of Chemical Physics 2015, 143. <https://doi.org/10.1063/1.4923436>
• Rishi Varun, Perera Ajith, Bartlett Rodney: Transition metal atomic multiplet states through the lens of single-reference coupled-cluster and the equation-of-motion coupled-cluster methods. Theor Chem Acc 2014, 133. <https://doi.org/10.1007/s00214-014-1515-4>
• Bozkaya Uğur: Analytic Energy Gradients and Spin Multiplicities for Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting Approximation: An Efficient Implementation. J. Chem. Theory Comput. 2014, 10, 4389. <https://doi.org/10.1021/ct500634s>
• Datta Dipayan, Gauss Jürgen: Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: Evaluation of first-order electrical properties. The Journal of Chemical Physics 2014, 141. <https://doi.org/10.1063/1.4894773>
• Bartlett Rodney J.: Coupled‐cluster theory and its equation‐of‐motion extensions. WIREs Comput Mol Sci 2012, 2, 126. <https://doi.org/10.1002/wcms.76>
• Saito Toru, Ito Akira, Watanabe Tomohiro, Kawakami Takashi, Okumura Mitsutaka, Yamaguchi Kizashi: Performance of the coupled cluster and DFT methods for through-space magnetic interactions of nitroxide dimer. Chemical Physics Letters 2012, 542, 19. <https://doi.org/10.1016/j.cplett.2012.05.046>
• Sen Sangita, Shee Avijit, Mukherjee Debashis: Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: Excited and ionized state energies. The Journal of Chemical Physics 2012, 137. <https://doi.org/10.1063/1.4742058>
• Saito Toru, Nishihara Satomichi, Yamanaka Shusuke, Kitagawa Yasutaka, Kawakami Takashi, Yamada Satoru, Isobe Hiroshi, Okumura Mitsutaka, Yamaguchi Kizashi: Singlet–triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results. Theor Chem Acc 2011, 130, 739. <https://doi.org/10.1007/s00214-011-0914-z>
• Saito Toru, Nishihara Satomichi, Yamanaka Shusuke, Kitagawa Yasutaka, Kawakami Takashi, Yamada Satoru, Isobe Hiroshi, Okumura Mitsutaka, Yamaguchi Kizashi: Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules. Theor Chem Acc 2011, 130, 749. <https://doi.org/10.1007/s00214-011-0941-9>
• Saito Toru, Yasuda Natsumi, Nishihara Satomichi, Yamanaka Shusuke, Kitagawa Yasutaka, Kawakami Takashi, Okumura Mitsutaka, Yamaguchi Kizashi: Broken-symmetry natural orbital (BSNO)–Mk-MRCC study on the exchange coupling in the binuclear copper(II) compounds. Chemical Physics Letters 2011, 505, 11. <https://doi.org/10.1016/j.cplett.2011.02.018>
• Saito Toru, Yasuda Natsumi, Kataoka Yusuke, Nakanishi Yasuyuki, Kitagawa Yasutaka, Kawakami Takashi, Yamanaka Shusuke, Okumura Mitsutaka, Yamaguchi Kizashi: Potential Energy Curve for Ring-Opening Reactions: Comparison Between Broken-Symmetry and Multireference Coupled Cluster Methods. J. Phys. Chem. A 2011, 115, 5625. <https://doi.org/10.1021/jp201463h>
• Nishihara Satomich, Yamanaka Shusuke, Saito Tohru, Kitagawa Yasutaka, Kawakami Takashi, Okumura Mitsutaka, Yamaguchi Kizashi: UNO‐ and ULO‐MRCC(Mk), AP‐UCC and AP‐UBD approaches to diradical systems. Int J of Quantum Chemistry 2010, 110, 3015. <https://doi.org/10.1002/qua.22885>
• Saito Toru, Nishihara Satomichi, Kitagawa Yasutaka, Kawakami Takashi, Yamanaka Shusuke, Okumura Mitsutaka, Yamaguchi Kizashi: A broken-symmetry study on the automerization of cyclobutadiene. Comparison with UNO- and DNO-MRCC methods. Chemical Physics Letters 2010, 498, 253. <https://doi.org/10.1016/j.cplett.2010.08.081>
• Saito Toru, Nishihara Satomichi, Kataoka Yusuke, Nakanishi Yasuyuki, Kitagawa Yasutaka, Kawakami Takashi, Yamanaka Shusuke, Okumura Mitsutaka, Yamaguchi Kizashi: Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations. J. Phys. Chem. A 2010, 114, 7967. <https://doi.org/10.1021/jp102635s>
• Saito Toru, Nishihara Satomichi, Kataoka Yusuke, Nakanishi Yasuyuki, Kitagawa Yasutaka, Kawakami Takashi, Yamanaka Shusuke, Okumura Mitsutaka, Yamaguchi Kizashi: Multireference Character of 1,3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile. J. Phys. Chem. A 2010, 114, 12116. <https://doi.org/10.1021/jp108302y>
• Nishihara Satomichi, Saito Toru, Yamanaka Shusuke, Kitagawa Yasutaka, Kawakami Takashi, Okumura Mitsutaka, Yamaguchi Kizashi: MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions. Molecular Physics 2010, 108, 2559. <https://doi.org/10.1080/00268976.2010.512571>
• Bartlett Rodney J.: The coupled-cluster revolution. Molecular Physics 2010, 108, 2905. <https://doi.org/10.1080/00268976.2010.531773>
• Saito T., Nishihara S., Kataoka Y., Nakanishi Y., Matsui T., Kitagawa Y., Kawakami T., Okumura M., Yamaguchi K.: Transition state optimization based on approximate spin-projection (AP) method. Chemical Physics Letters 2009, 483, 168. <https://doi.org/10.1016/j.cplett.2009.10.055>
• Kuś Tomasz, Lotrich Victor F., Bartlett Rodney J.: Parallel implementation of the equation-of-motion coupled-cluster singles and doubles method and application for radical adducts of cytosine. The Journal of Chemical Physics 2009, 130. <https://doi.org/10.1063/1.3091293>
• Klein Kerstin, Gauss Jürgen: Perturbative calculation of spin-orbit splittings using the equation-of-motion ionization-potential coupled-cluster ansatz. The Journal of Chemical Physics 2008, 129. <https://doi.org/10.1063/1.3013199>
• Krylov Anna I.: Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space. Annu. Rev. Phys. Chem. 2008, 59, 433. <https://doi.org/10.1146/annurev.physchem.59.032607.093602>
• Villaume Sébastien, Strich Alain, Ndoye Chérif A., Daniel Chantal, Perera S. Ajith, Bartlett Rodney J.: Theoretical study of the electronic structure of MCH2+(M=Fe,Co,Ni). The Journal of Chemical Physics 2007, 126. <https://doi.org/10.1063/1.2710259>
• Kamiya Muneaki, Hirata So: Higher-order equation-of-motion coupled-cluster methods for electron attachment. The Journal of Chemical Physics 2007, 126. <https://doi.org/10.1063/1.2715575>
• Fang Tao, Li Shuhua: Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: The formulation and test applications for single bond breaking. The Journal of Chemical Physics 2007, 127. <https://doi.org/10.1063/1.2800027>
• Bartlett Rodney J., Musiał Monika: Coupled-cluster theory in quantum chemistry. Rev. Mod. Phys. 2007, 79, 291. <https://doi.org/10.1103/RevModPhys.79.291>
• Heckert Miriam, Heun Oliver, Gauss Jürgen, Szalay Péter G.: Towards a spin-adapted coupled-cluster theory for high-spin open-shell states. The Journal of Chemical Physics 2006, 124. <https://doi.org/10.1063/1.2179070>
• Lupinetti Concetta, Thakkar Ajit J.: Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations. The Journal of Chemical Physics 2005, 122. <https://doi.org/10.1063/1.1834512>
• Watts * John D., Dupuis Michel: A coupled-cluster analysis of the photoelectron spectrum of. Mole Phys 2005, 103, 2223. <https://doi.org/10.1080/00268970500084117>
• Li Shuhua: Block-correlated coupled cluster theory: The general formulation and its application to the antiferromagnetic Heisenberg model. The Journal of Chemical Physics 2004, 120, 5017. <https://doi.org/10.1063/1.1646355>
• Szalay Péter G., Vázquez Juana, Simmons Chris, Stanton John F.: Triplet instability in doublet systems. The Journal of Chemical Physics 2004, 121, 7624. <https://doi.org/10.1063/1.1795153>
• Watts John D., Francisco Joseph S.: Molecular structure, vibrational frequencies, energetics, and excited states of the HOONO+ ions. The Journal of Chemical Physics 2003, 118, 1721. <https://doi.org/10.1063/1.1531661>
• Li Shuhua, Ma Jing, Jiang Yuansheng: Pair-correlated coupled cluster theory: An alternative multireference coupled cluster method. The Journal of Chemical Physics 2003, 118, 5736. <https://doi.org/10.1063/1.1555983>
• Berente Imre, Szalay Péter G., Gauss Jürgen: Spin-restricted coupled-cluster theory with triple excitations. The Journal of Chemical Physics 2002, 117, 7872. <https://doi.org/10.1063/1.1506916>
• NEOGRÁDY PAVEL, MEDVEĎ MIROSLAV, ČERNUŠÁK IVAN, URBAN MIROSLAV: Benchmark calculations of some molecular properties of O₂, CN and other selected small radicals using the ROHF-CCSD(T) method. Mole Phys 2002, 100, 541. <https://doi.org/10.1080/00268970110095660>
• Henderson Thomas M., Runge Keith, Bartlett Rodney J.: Electron correlation in artificial atoms. Chemical Physics Letters 2001, 337, 138. <https://doi.org/10.1016/S0009-2614(01)00157-9>
• Thurman Glenn M., Steckler Rozeanne: Ab Initio Direct Dynamics Study of OOH + H → H2 + 3O2. J. Phys. Chem. A 2001, 105, 2192. <https://doi.org/10.1021/jp001599s>
• Crawford T. Daniel, Kraka Elfi, Stanton John F., Cremer Dieter: Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry. The Journal of Chemical Physics 2001, 114, 10638. <https://doi.org/10.1063/1.1373433>
• Noga Jozef, Valiron Pierre, Klopper Wim: The accuracy of atomization energies from explicitly correlated coupled-cluster calculations. The Journal of Chemical Physics 2001, 115, 2022. <https://doi.org/10.1063/1.1384011>
• Noga Jozef, Valiron Pierre: Explicitly correlated R12 coupled cluster calculations for open shell systems. Chemical Physics Letters 2000, 324, 166. <https://doi.org/10.1016/S0009-2614(00)00600-X>
• Yuan He, Cremer Dieter: The expectation value of the spin operator Ŝ2 as a diagnostic tool in coupled cluster theory. Chemical Physics Letters 2000, 324, 389. <https://doi.org/10.1016/S0009-2614(00)00644-8>
• Krylov Anna I.: Spin-contamination of coupled-cluster wave functions. The Journal of Chemical Physics 2000, 113, 6052. <https://doi.org/10.1063/1.1308557>
• Gutsev Gennady L., Khanna S. N., Rao B. K., Jena P.: Electronic Structure and Properties of FeOn and FeOn- Clusters. J. Phys. Chem. A 1999, 103, 5812. <https://doi.org/10.1021/jp9909006>
• Munzarová Markéta, Kaupp Martin: A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes. J. Phys. Chem. A 1999, 103, 9966. <https://doi.org/10.1021/jp992303p>
• Gutsev Gennady L., Jena Puru, Bartlett Rodney J.: Structure and stability of the AlX and AlX− species. The Journal of Chemical Physics 1999, 110, 2928. <https://doi.org/10.1063/1.477936>
• Bettinger Holger F., Schleyer Paul v. R., Schaefer Henry F.: NF5Viable or Not?. J. Am. Chem. Soc. 1998, 120, 11439. <https://doi.org/10.1021/ja9813921>
• GUTSEV GENNADY L., BARTLETT RODNEY J.: Adiabatic electron affinities of PF5 and SF6: a coupled-cluster study 5 6. Molecular Physics 1998, 94, 121. <https://doi.org/10.1080/002689798168402>
• Gutsev Gennady L., Bartlett Rodney J.: Electron affinity of NH: a coupled-cluster and Hartree-Fock density-functional-theory study. Chemical Physics Letters 1997, 265, 12. <https://doi.org/10.1016/S0009-2614(96)01410-8>
• Fernández Berta, Christiansen Ove, Jo/rgensen Poul, Byberg Jo/rgen, Gauss Jürgen, Ruud Kenneth: Hyperfine and nuclear quadrupole coupling in chlorine and fluorine dioxides. The Journal of Chemical Physics 1997, 106, 1847. <https://doi.org/10.1063/1.473324>
• Perera S. Ajith, Salemi Lynn M., Bartlett Rodney J.: Hyperfine coupling constants of organic radicals. The Journal of Chemical Physics 1997, 106, 4061. <https://doi.org/10.1063/1.473512>
• Steckler Rozeanne, Thurman Glenn M., Watts John D., Bartlett Rodney J.: Ab initio direct dynamics study of OH+HCl→Cl+H2O. The Journal of Chemical Physics 1997, 106, 3926. <https://doi.org/10.1063/1.473981>
• Ochsenfeld Christian, Kaiser Ralf I., Lee Yuan T., Suits Arthur G., Head-Gordon Martin: A coupled-cluster ab initio study of triplet C3H2 and the neutral–neutral reaction to interstellar C3H. The Journal of Chemical Physics 1997, 106, 4141. <https://doi.org/10.1063/1.473983>
• Baeck Kyoung K., Bartlett Rodney J.: Ab initio study of chemical species in the BCl3 plasma: Structure, spectra, and decomposition paths. The Journal of Chemical Physics 1997, 106, 4604. <https://doi.org/10.1063/1.473986>
• Szalay Péter G., Gauss Jürgen: Spin-restricted open-shell coupled-cluster theory. The Journal of Chemical Physics 1997, 107, 9028. <https://doi.org/10.1063/1.475220>
• Watts John D., Franz James A., Bartlett Rodney J.: Radical hydrogen transfer reactions: benchmark calculations on the C2H4…H…C2H4 transition state. Chemical Physics Letters 1996, 249, 496. <https://doi.org/10.1016/0009-2614(95)01420-9>
• Nooijen Marcel, Bartlett Rodney J.: General spin adaptation of open-shell coupled cluster theory. The Journal of Chemical Physics 1996, 104, 2652. <https://doi.org/10.1063/1.471010>
• Olsen Jeppe, Jo/rgensen Poul, Koch Henrik, Balkova Anna, Bartlett Rodney J.: Full configuration–interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions. The Journal of Chemical Physics 1996, 104, 8007. <https://doi.org/10.1063/1.471518>
• Neogrády Pavel, Urban Miroslav: Spin‐Adapted restricted Hartree–Fock reference coupled‐cluster theory for open‐shell systems: Noniterative triples for noncanonical orbitals. Int J of Quantum Chemistry 1995, 55, 187. <https://doi.org/10.1002/qua.560550214>
• Maurice David, Head-Gordon Martin: Configuration interaction with single substitutions for excited states of open-shell molecules. Int. J. Quantum Chem. 1995, 56, 361. <https://doi.org/10.1002/qua.560560840>
• Wang Jiahu, Becke Axel D., Smith Vedene H.: Evaluation of 〈S2〉 in restricted, unrestricted Hartree–Fock, and density functional based theories. The Journal of Chemical Physics 1995, 102, 3477. <https://doi.org/10.1063/1.468585>
• Fortunelli Alessandro: Ab initio calculations of isotropic hyperfine coupling constants in β‐ketoenolyl radicals. Int J of Quantum Chemistry 1994, 52, 97. <https://doi.org/10.1002/qua.560520110>
• Urban Miroslav, Watts John D., Bartlett Rodney J.: On the accuracy of molecular properties by coupled‐cluster methods for some difficult examples: Oxygen atom, iron atom, and cyano radical. Int J of Quantum Chemistry 1994, 52, 211. <https://doi.org/10.1002/qua.560520121>
• Neogrády Pavel, Urban Miroslav, Hubac̆ Ivan: Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems. The Journal of Chemical Physics 1994, 100, 3706. <https://doi.org/10.1063/1.466359>
• Perera S. Ajith, Watts John D., Bartlett Rodney J.: A theoretical study of hyperfine coupling constants. The Journal of Chemical Physics 1994, 100, 1425. <https://doi.org/10.1063/1.466620>
• Chen Wei, Schlegel H. Bernhard: Evaluation of S2 for correlated wave functions and spin projection of unrestricted Mo/ller–Plesset perturbation theory. The Journal of Chemical Physics 1994, 101, 5957. <https://doi.org/10.1063/1.467312>
• Stanton John F., Gauss Jürgen: Analytic energy derivatives for ionized states described by the equation-of-motion coupled cluster method. The Journal of Chemical Physics 1994, 101, 8938. <https://doi.org/10.1063/1.468022>
• Stanton John F.: On the extent of spin contamination in open-shell coupled-cluster wave functions. The Journal of Chemical Physics 1994, 101, 371. <https://doi.org/10.1063/1.468144>
• Comeau Donald C., Bartlett Rodney J.: The equation-of-motion coupled-cluster method. Applications to open- and closed-shell reference states. Chemical Physics Letters 1993, 207, 414. <https://doi.org/10.1016/0009-2614(93)89023-B>
• Fortunelli Alessandro, Salvetti Oriano, Hammoutene D., Boucekkine G., Boucekkine A., Berthier G., Coutinho Kaline, Canuto Sylvio: Ab initio calculations of isotropic hyperfine coupling constants in ��-ketoenolyl radicals. Journal of Molecular Structure: THEOCHEM 1993, 287, 89. <https://doi.org/10.1016/0166-1280(93)87207-T>
• Kraka Elfi, Gauss Jürgen, Cremer Dieter: Accurate coupled cluster reaction enthalpies and activation energies for X+H2→XH+H (X=F, OH, NH2, and CH3). The Journal of Chemical Physics 1993, 99, 5306. <https://doi.org/10.1063/1.465974>
• Urban M., Bartlett Rodney J., Alexander S. A.: Basis set quantum chemistry and quantum Monte Carlo: Selected atomic and molecular results. Int. J. Quantum Chem. 1992, 44, 271. <https://doi.org/10.1002/qua.560440824>
• Chipman Daniel M.: The spin polarization model for hyperfine coupling constants. Theoret. Chim. Acta 1992, 82, 93. <https://doi.org/10.1007/BF01113132>
• Watts John D., Bartlett Rodney J.: Coupled-cluster calculations on the C2 molecule and the C+2 and C−2 molecular ions. The Journal of Chemical Physics 1992, 96, 6073. <https://doi.org/10.1063/1.462649>
• Watts John D., Bartlett Rodney J.: A theoretical study of linear carbon cluster monoanions, C−n, and dianions, C2−n (n=2–10). The Journal of Chemical Physics 1992, 97, 3445. <https://doi.org/10.1063/1.462980>
• Watts John D., Gauss Jürgen, Stanton John F., Bartlett Rodney J.: Linear and cyclic isomers of C4. A theoretical study with coupled-cluster methods and large basis sets. The Journal of Chemical Physics 1992, 97, 8372. <https://doi.org/10.1063/1.463407>
• Lauderdale Walter J., Stanton John F., Gauss Jürgen, Watts John D., Bartlett Rodney J.: Restricted open-shell Hartree–Fock-based many-body perturbation theory: Theory and application of energy and gradient calculations. The Journal of Chemical Physics 1992, 97, 6606. <https://doi.org/10.1063/1.463664>
• Stanton John F., Gauss Jürgen, Bartlett Rodney J.: On the choice of orbitals for symmetry breaking problems with application to NO3. The Journal of Chemical Physics 1992, 97, 5554. <https://doi.org/10.1063/1.463762>
• Stanton John F., Bartlett Rodney J., Rittby C. Magnus L.: Fock space multireference coupled‐cluster theory for general single determinant reference functions. The Journal of Chemical Physics 1992, 97, 5560. <https://doi.org/10.1063/1.463763>
• Neogrády Pavel, Urban Miroslav, Hubač Ivan: Spin adapted restricted open shell coupled cluster theory. Linear version. The Journal of Chemical Physics 1992, 97, 5074. <https://doi.org/10.1063/1.463828>
• Cole Samuel J., Hasan Muhammad, Kirtman Bernard: Single‐Reference Coupled‐Cluster Calculations of the Triplet Ground‐State O2 Dissociation Potential. Israel Journal of Chemistry 1991, 31, 303. <https://doi.org/10.1002/ijch.199100035>
• Čársky Petr, Hubač Ivan: Restricted Hartree-Fock and unrestricted Hartree-Fock as reference states in many-body perturbation theory: a critical comparison of the two approaches. Theoret. Chim. Acta 1991, 80, 407. <https://doi.org/10.1007/BF01117420>
• Gauss Jürgen, Lauderdale Walter J., Stanton John F., Watts John D., Bartlett Rodney J.: Analytic energy gradients for open-shell coupled-cluster singles and doubles (CCSD) calculations using restricted open-shell Hartree—Fock (ROHF) reference functions. Chemical Physics Letters 1991, 182, 207. <https://doi.org/10.1016/0009-2614(91)80203-A>
• Watts John D., Cernusak Ivan, Bartlett Rodney J.: A coupled-cluster study of the photoelectron spectra of C−4. Chemical Physics Letters 1991, 178, 259. <https://doi.org/10.1016/0009-2614(91)87066-K>
• Lauderdale Walter J., Stanton John F., Gauss Jürgen, Watts John D., Bartlett Rodney J.: Many-body perturbation theory with a restricted open-shell Hartree—Fock reference. Chemical Physics Letters 1991, 187, 21. <https://doi.org/10.1016/0009-2614(91)90478-R>
• Adamowicz Ludwik: Theoretical study of optical excitations of linear C4−. Chemical Phys 1991, 156, 387. <https://doi.org/10.1016/0301-0104(91)89007-W>
• Adamowicz Ludwik: Photoexcitations of the Si−4 anion. Theoretical study. Chemical Physics Letters 1991, 185, 244. <https://doi.org/10.1016/S0009-2614(91)85055-2>
• Watts John D., Stanton John F., Gauss Jürgen, Bartlett Rodney J.: A coupled-cluster study of the ground state of C+3. The Journal of Chemical Physics 1991, 94, 4320. <https://doi.org/10.1063/1.460618>
• Gauss Jürgen, Stanton John F., Bartlett Rodney J.: Analytic evaluation of energy gradients at the coupled‐cluster singles and doubles level using quasi‐restricted Hartree–Fock open‐shell reference functions. The Journal of Chemical Physics 1991, 95, 2639. <https://doi.org/10.1063/1.460916>
• Watts John D., Bartlett Rodney J.: A coupled-cluster study of inversion symmetry breaking in the F+2 molecular ion. The Journal of Chemical Physics 1991, 95, 6652. <https://doi.org/10.1063/1.461535>
• Oliphant Nevin, Adamowicz Ludwik: Coupled cluster calculations for the BC molecule using numerical correlation orbitals. Chemical Physics Letters 1990, 168, 126. <https://doi.org/10.1016/0009-2614(90)85116-T>
• Watts John D., Trucks Gary W., Bartlett Rodney J.: Coupled-cluster, unitary coupled-cluster and MBPT(4) open-shell analytical gradient methods. Chemical Physics Letters 1989, 164, 502. <https://doi.org/10.1016/0009-2614(89)85246-7>