Ab Initio Calculation for Interaction Potential of He–He
- 1 March 1988
- journal article
- research article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 61 (3) , 1014-1016
- https://doi.org/10.1246/bcsj.61.1014
Abstract
Using the help of an ab initio calculation with a configuration interaction (CI) treatment, the potential energy of a He dimer system could be calculated in due consideration of a correction for the basis set superposition error. In evaluating CI matrix elements, the graphical unitary group approach was adopted.Keywords
This publication has 17 references indexed in Scilit:
- van der Waals interaction potentialsMolecular Physics, 1985
- The interaction potentials for He-He and He-Li+Molecular Physics, 1984
- van der Waals interaction potentials: Many-body basis set superposition effectsChemical Physics Letters, 1983
- Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitivesThe Journal of Chemical Physics, 1979
- The utilization of abelian point group symmetry in the graphical unitary group approach to the calculation of correlated electronic wavefunctionsChemical Physics Letters, 1979
- Configuration interaction calculations of the helium pair potential including CI superposition correctionsMolecular Physics, 1979
- A calculation of the well depth for a pair of helium atomsChemical Physics Letters, 1977
- Ab-initiovalence bond calculations on the He-He potential curve using small basesMolecular Physics, 1975
- Accurate calculation of the attractive interaction of two ground state helium atomsThe Journal of Chemical Physics, 1973
- Interatomic correlation energy and the van der Waals attraction between two helium atomsChemical Physics Letters, 1971