相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer
Laimutis Bytautas et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Fast local-MP2 method with density-fitting for crystals.: II.: Test calculations and application to the carbon dioxide crystal
Denis Usvyat et al.
PHYSICAL REVIEW B (2007)
Fast local-MP2 method with density-fitting for crystals.: I.: Theory and algorithms
Lorenzo Maschio et al.
PHYSICAL REVIEW B (2007)
The effect of the basis-set superposition error on the calculation of dispersion interactions: A test study on the neon dimer
Antonio Monari et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Symmetry-adapted localized Wannier functions suitable for periodic local correlation methods
Silvia Casassa et al.
THEORETICAL CHEMISTRY ACCOUNTS (2006)
Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions
P Schwerdtfeger et al.
PHYSICAL REVIEW B (2006)
Local-MP2 electron correlation method for nonconducting crystals -: art. no. 094113
C Pisani et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Fast linear scaling second-order Moller-Plesset perturbation theory (MP2) using local and density fitting approximations
HJ Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Linear scaling local coupled cluster theory with density fitting. Part I: 4-external integrals
M Schutz et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations
F Weigend et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
CM Zicovich-Wilson et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Highly accurate coupled-cluster singlet and triplet pair energies from explicitly correlated calculations in comparison with extrapolation techniques
W Klopper
MOLECULAR PHYSICS (2001)
Ab initio coupled-cluster calculations for the fcc and hcp structures of rare-gas solids
K Rosciszewski et al.
PHYSICAL REVIEW B (2000)