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。Performance of spin-component-scaled Moller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions
Tait Takatani et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
PS13:: An open-source ab initio electronic structure package
T. Daniel Crawford et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Is spin-component scaled second-order moller-plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
Jens Antony et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Spin-component scaling methods for weak and stacking interactions
J. Grant Hill et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Aliphatic C-H/π interactions:: Methane-benzene, methane-phenol, and methane-indole complexes
Ashley L. Ringer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
High-accuracy quantum mechanical studies of π-π interactions in benzene dimers
Mutasem Omar Sinnokrot et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
P Jurecka et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods
J. Grant Hill et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Ab initio studies of π•••π interactions:: The effects of quadruple excitations
BW Hopkins et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Spin-component scaled second-order Moller-Plesset perturbation theory for the calculation of molecular geometries and harmonic vibrational frequencies
M Gerenkamp et al.
CHEMICAL PHYSICS LETTERS (2004)
Scaled opposite-spin second order Moller-Plesset correlation energy: An economical electronic structure method
YS Jung et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Improved second-order Moller-Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
S Grimme
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)
A new, fast, semi-direct implementation of linear scaling local coupled cluster theory
M Schutz
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Low-order scaling local electron correlation methods.: IV.: Linear scaling local coupled-cluster (LCCSD)
M Schütz et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations
KL Bak et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The equilibrium structure of benzene
J Gauss et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)