A diffusion quantum Monte Carlo method based on floating spherical Gaussian orbitals and Gaussian geminals: Dipole moment of lithium hydride molecule
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1344892
Reference50 articles.
1. Floating Spherical Gaussian Orbital Model of Molecular Structure. I. Computational Procedure. LiH as an Example
2. Floating spherical Gaussian orbitals based quantum Monte Carlo method in molecular electronic calculations
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4. Forces in Molecules
5. The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation
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