Excited states in Hartree–Fock theory

Gonis, A.

doi:10.1016/j.commatsci.2023.112159

Excited states in Hartree–Fock theory

Journal Article · 01 June 2023 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2023.112159· OSTI ID:2421138

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OSTI

Not provided.

Research Organization:: Univ. of Florida, Gainesville, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019330

OSTI ID:: 2421138

Journal Information:: Computational Materials Science, Journal Name: Computational Materials Science Journal Issue: C Vol. 226; ISSN 0927-0256

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

References (9)

HARTREE–FOCK WAVE FUNCTIONS FOR EXCITED STATES: THE 2 ¹S STATE OF HELIUM Cohen, Maurice; Kelly, Paul S. Canadian Journal of Physics, Vol. 43, Issue 10 https://doi.org/10.1139/p65-178	journal	October 1965
Optimized effective potential method for individual low-lying excited states Glushkov, V. N.; Levy, M. The Journal of Chemical Physics, Vol. 126, Issue 17 https://doi.org/10.1063/1.2733657	journal	May 2007
Extended Hartree-Fock theory for excited states Morokuma, K.; Iwata, S. Chemical Physics Letters, Vol. 16, Issue 1 https://doi.org/10.1016/0009-2614(72)80489-5	journal	September 1972
An SCF technique for excited states Colle, Renato; Fortunelli, Alessandro; Salvetti, Oriano Theoretica Chimica Acta, Vol. 71, Issue 6 https://doi.org/10.1007/BF00530244	journal	July 1987
Hartree-Fock equations determining the optimum set of spin orbitals for the expansion of excited states Gidopoulos, Nikitas; Theophilou, Andreas Philosophical Magazine B, Vol. 69, Issue 5 https://doi.org/10.1080/01418639408240176	journal	May 1994
Ensemble-Hartree–Fock scheme for excited states. The optimized effective potential method Gidopoulos, N. I.; Papaconstantinou, P. G.; Gross, E. K. U. Physica B: Condensed Matter, Vol. 318, Issue 4 https://doi.org/10.1016/S0921-4526(02)00799-8	journal	June 2002
SCF methods for excited states Davidson, Ernest R.; Stenkamp, Larilyn Zeller International Journal of Quantum Chemistry, Vol. 10, Issue S10 https://doi.org/10.1002/qua.560100803	journal	January 1976
Hartree-Fock calculation for excited states Tassi, M.; Theophilou, Iris; Thanos, S. International Journal of Quantum Chemistry, Vol. 113, Issue 5 https://doi.org/10.1002/qua.24049	journal	March 2012
N�herungsmethode zur L�sung des quantenmechanischen Mehrk�rperproblems Fock, V. Zeitschrift f�r Physik, Vol. 61, Issue 1-2 https://doi.org/10.1007/BF01340294	journal	January 1930

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References (9)

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