标题
The intrapair electron correlation in natural orbital functional theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 23, Pages 234109
出版商
AIP Publishing
发表日期
2013-12-19
DOI
10.1063/1.4844075
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Interpair electron correlation by second-order perturbative corrections to PNOF5
- (2013) M. Piris JOURNAL OF CHEMICAL PHYSICS
- Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective
- (2013) Jon M. Matxain et al. JOURNAL OF CHEMICAL PHYSICS
- A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals
- (2013) Peter A. Limacher et al. Journal of Chemical Theory and Computation
- Assessment of the second-order perturbative corrections to PNOF5
- (2013) M. Piris et al. MOLECULAR PHYSICS
- The one-electron picture in the Piris natural orbital functional 5 (PNOF5)
- (2013) Mario Piris et al. THEORETICAL CHEMISTRY ACCOUNTS
- sp3 Hybrid orbitals and ionization energies of methane from PNOF5
- (2012) Jon M. Matxain et al. CHEMICAL PHYSICS LETTERS
- The Nature of Chemical Bonds from PNOF5 Calculations
- (2012) Jon M. Matxain et al. CHEMPHYSCHEM
- A natural orbital functional based on an explicit approach of the two-electron cumulant
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- The extended Koopmans’ theorem: Vertical ionization potentials from natural orbital functional theory
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- The natural orbital functional theory of the bonding in Cr2, Mo2and W2
- (2012) F. Ruipérez et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The equivalence of the Piris Natural Orbital Functional 5 (PNOF5) and the antisymmetrized product of strongly orthogonal geminal theory
- (2012) Katarzyna Pernal Computational and Theoretical Chemistry
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- (2012) M. Piris Computational and Theoretical Chemistry
- A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals
- (2012) Paul A. Johnson et al. Computational and Theoretical Chemistry
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- (2009) M. Piris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Chemical bonding in the lightest tri-atomic clusters; H3+, Li3+ and B3−
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- (2009) Richard F.W. Bader JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Parametrization of the Two-Electron Reduced Density Matrix for its Direct Calculation without the Many-Electron Wave Function
- (2008) David A. Mazziotti PHYSICAL REVIEW LETTERS
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