Applications of a variational coupled-electron pair approach to the calculation of intermolecular interaction in the framework of the VB theory: Study of the van der Waals complex He

Applications of a variational coupled-electron pair approach to the calculation of intermolecular interaction in the framework of the VB theory: Study of the van der Waals complex He–CH4

Published:2000-10-22 Issue:16 Volume:113 Page:6724-6735
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Specchio Roberto,Famulari Antonino,Martinazzo Rocco,Raimondi Mario

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1287274

Reference34 articles.

1. A new variational coupled-electron pair approach to the intermolecular interaction calculation in the framework of the valence bond theory: The case of the water dimer system

2. Rotationally inelastic scattering and potential calculations for He + CH4

3. An ab initio study of the intermolecular potential surfaces of HeCH4 and NeCH4

4. Ab Initio Calculations on the Use of Helium and Neon as Probes of the van der Waals Surfaces of Molecules

5. Monomer geometry relaxation and the basis set superposition error

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1. Theoretical study of the intermolecular potential energy and second virial coefficient in the mixtures of CH4and Kr gases: a comparison with experimental data;Molecular Simulation;2010-09

2. Results and perspectives of the MO–VB method. Application examples on the He2 and the LiH–He complexes;Physical Chemistry Chemical Physics;2010

3. Rotational excitation of CH4 by He atoms;The European Physical Journal D;2008-08-30

4. Application of valence-bond techniques to the study of weakly bound complexes. The potential energy surface of the Ne–CH4system;Phys. Chem. Chem. Phys.;2007

5. A survey of recent developments in ab initio valence bond theory;Journal of Computational Chemistry;2006