Proposal for a modified Moeller-Plesset perturbation theory

Journal Article · Sun Jan 15 00:00:00 EST 2006 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.73.0· OSTI ID:20786700

Cabo, Alejandro ^[1]; Claro, Francisco ^[2]; Menendez-Proupin, Eduardo ^[3]; Cruz-Hernandez, Norge; Fernandez-Sanz, Javier ^[4]

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1. Grupo de Fisica Teorica, Instituto de Cibernetica, Matematica y Fisica, Calle E, No. 309, Vedado, Havana (Cuba)
2. Facultad de Fisica, Pontificia Universidad Catolica de Chile, Vicuna Mackenna 4860 Santiago (Chile)
3. Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, 780-0024 Nunoa, Santiago (Chile)
4. Facultad de Quimica, Departamento de Quimica Fisica, Universidad de Sevilla, E-41012 Sevilla (Spain)

A modified version of the Moeller-Plesset approach for obtaining the correlation energy associated with a Hartree-Fock ground state is proposed. The method is tested in a model of interacting fermions that allows for an exact solution. Using up to third order terms improved results are obtained, even in the limit of loosely bound particles. Tested in molecules as well, the modified method appears to give improved results in symmetric systems.

• OSTI ID: 20786700
• Journal Information: Physical Review. A, Vol. 73, Issue 1; Other Information: DOI: 10.1103/PhysRevA.73.012510; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ELECTRON CORRELATION
EXACT SOLUTIONS
FERMIONS
GROUND STATES
HARTREE-FOCK METHOD
MOLECULES
PERTURBATION THEORY