Accurate atomization energies and dipole moments from Ornstein–Uhlenbeck diffusion quantum Monte Carlo calculations for small first-row polyatomic molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1570813
Reference39 articles.
1. Fixed-node quantum Monte Carlo
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3. Quantum Monte Carlo ground state energies for the atoms Li through Ar;The Journal of Chemical Physics;2009-07-28
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5. Quantum Monte Carlo studies on small molecules;Molecular Physics;2006-10-10
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