Strongly orthogonal geminals: size-extensive and variational reference states

被引：76

作者：

Surjan, Peter R. ^{[1
]}

Szabados, Agnes ^{[1
]}

Jeszenszki, Peter ^{[1
]}

Zoboki, Tamas ^{[1
]}

机构：

[1] Eotvos Lorand Univ, Inst Chem, Lab Theoret Chem, H-1518 Budapest 112, Hungary

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 2012年 / 50卷 / 03期

关键词：

Geminals; Perfect pairing; Perturbative correction; COUPLED-CLUSTER METHOD; LOCALIZED MOLECULAR-ORBITALS; PLESSET PERTURBATION-THEORY; MANY-BODY PROBLEM; HARTREE-FOCK ORBITALS; SEPARATED-PAIR THEORY; COMPOSITE-PARTICLES; WAVE-FUNCTIONS; CONFIGURATION-INTERACTION; ELECTRON WAVEFUNCTIONS;

D O I：

10.1007/s10910-011-9849-9

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Properties and some applications of strongly orthogonal geminals (APSG) are reviewed emphasizing the motivations for their use and their shortcomings. An overview presents some techniques capable of improving the APSG function.

引用

页码：534 / 551

页数：18

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