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Collect. Czech. Chem. Commun. 2005, 70, 811-825
https://doi.org/10.1135/cccc20050811

The Fock-Space Coupled-Cluster Method in the Calculation of Excited State Properties

Monika Musiała and Leszek Meissnerb,*

a Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice, Poland
b Institute of Physics, Nicholaus Copernicus University, 87-100 Torun, Poland

Crossref Cited-by Linking

  • Musiał Monika, Bewicz Anna, Kucharski Stanisław A.: Potential energy curves for electronic states of the sodium dimer with multireference coupled cluster calculations. Molecular Physics 2022. <https://doi.org/10.1080/00268976.2022.2106320>
  • Meissner Leszek, Musiał Monika, Kucharski Stanisław A.: Extension of the Fock-space coupled-cluster method with singles and doubles to the three-valence sector. J. Chem. Phys. 2020, 153, 114115. <https://doi.org/10.1063/5.0014941>
  • Musiał Monika, Meissner Leszek, Cembrzynska Justyna: The intermediate Hamiltonian Fock-space coupled-cluster method with approximate evaluation of the three-body effects. J. Chem. Phys. 2019, 151, 184102. <https://doi.org/10.1063/1.5124806>
  • Musiał Monika, Lupa Łukasz, Kucharski Stanisław A.: Fock space coupled cluster study of the 11Π g state of the Li2 molecule. Molecular Physics 2017, 115, 579. <https://doi.org/10.1080/00268976.2016.1233358>
  • Musiał Monika, Lupa Łukasz, Kucharski Stanisław A.: Equation-of-motion coupled cluster method for the description of the high spin excited states. The Journal of Chemical Physics 2016, 144, 154105. <https://doi.org/10.1063/1.4946031>
  • Musiał Monika, Medrek Magdalena, Kucharski Stanisław A.: Potential energy curves of Li+2 from all-electron EA-EOM-CCSD calculations. Molecular Physics 2015, 113, 2943. <https://doi.org/10.1080/00268976.2015.1059514>
  • Dutta Achintya Kumar, Gupta Jitendra, Vaval Nayana, Pal Sourav: Intermediate Hamiltonian Fock Space Multireference Coupled Cluster Approach to Core Excitation Spectra. J. Chem. Theory Comput. 2014, 10, 3656. <https://doi.org/10.1021/ct500285e>
  • Mieszczanin Patryk, Musiał Monika, Kucharski Stanisław A.: Potential energy curves via double electron affinity calculations: example of NaLi molecule†. Molecular Physics 2014, 112, 726. <https://doi.org/10.1080/00268976.2013.856488>
  • Musiał Monika, Kowalska-Szojda Katarzyna, Lyakh Dmitry I., Bartlett Rodney J.: Potential energy curves via double electron-attachment calculations: Dissociation of alkali metal dimers. The Journal of Chemical Physics 2013, 138, 194103. <https://doi.org/10.1063/1.4804164>
  • Gupta Jitendra, Vaval Nayana, Pal Sourav: A Lagrange multiplier approach for excited state properties through intermediate Hamiltonian formulation of Fock space multireference coupled-cluster theory. The Journal of Chemical Physics 2013, 139, 074108. <https://doi.org/10.1063/1.4817943>
  • Musiał Monika: Multireference Fock space coupled cluster method in the effective and intermediate Hamiltonian formulation for the (2,0) sector. The Journal of Chemical Physics 2012, 136, 134111. <https://doi.org/10.1063/1.3700438>
  • Meissner Leszek: Various formulations of the Fock-space coupled-cluster method: Advantages and disadvantages in their practical implementations. Chemical Phys 2011. <https://doi.org/10.1016/j.chemphys.2011.09.012>
  • Musiał Monika, Bartlett Rodney J.: Charge-transfer separability and size-extensivity in the equation-of-motion coupled cluster method: EOM-CCx. The Journal of Chemical Physics 2011, 134, 034106. <https://doi.org/10.1063/1.3511783>
  • Musiał Monika, Bartlett Rodney J.: Multi-reference Fock space coupled-cluster method in the intermediate Hamiltonian formulation for potential energy surfaces. The Journal of Chemical Physics 2011, 135, 044121. <https://doi.org/10.1063/1.3615500>
  • Musial Monika: Efficient realization of the Fock-space coupled-cluster method with connected triple excitations. Chemical Physics Letters 2009, 470, 358. <https://doi.org/10.1016/j.cplett.2009.01.075>
  • Musial Monika, Bartlett Rodney J.: Benchmark calculations of the Fock-space coupled cluster single, double, triple excitation method in the intermediate Hamiltonian formulation for electronic excitation energies. Chemical Physics Letters 2008, 457, 267. <https://doi.org/10.1016/j.cplett.2008.04.004>
  • Musial Monika, Bartlett Rodney J.: Intermediate Hamiltonian Fock-space multireference coupled-cluster method with full triples for calculation of excitation energies. The Journal of Chemical Physics 2008, 129, 044101. <https://doi.org/10.1063/1.2952521>
  • Musial Monika, Bartlett Rodney J.: Multireference Fock-space coupled-cluster and equation-of-motion coupled-cluster theories: The detailed interconnections. The Journal of Chemical Physics 2008, 129, 134105. <https://doi.org/10.1063/1.2982788>
  • Musial Monika, Bartlett Rodney J.: Spin-free intermediate Hamiltonian Fock space coupled-cluster theory with full inclusion of triple excitations for restricted Hartree Fock based triplet states. The Journal of Chemical Physics 2008, 129, 244111. <https://doi.org/10.1063/1.3046453>
  • 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>