On the performance of high‐level correlated single‐reference methods: The energy, dipole moment, and polarizability functions of BH
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.456208
Reference26 articles.
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4. Propagator Methods
5. A coupled cluster approach with triple excitations
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1. Hartree-Fock limit values of multipole moments, polarizabilities, and hyperpolarizabilities for atoms and diatomic molecules;Physical Review A;2015-02-03
2. Approximate generation of full-dimensionalab initiovan der Waals surfaces for high-resolution spectroscopy;The Journal of Chemical Physics;2004-07-22
3. Electric properties of BH, CO and H2O molecules by density functional response approach;Journal of Molecular Structure: THEOCHEM;2004-05
4. Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree–Fock calculations for diatomic molecules: II. Refinement of basis sets and grids for hyperpolarizability calculations;Journal of Physics B: Atomic, Molecular and Optical Physics;2004-01-20
5. The electronic, vibrational and rotational contributions to the dipole moment, polarizability, and first and second hyperpolarizabilities of the BH molecule;The Journal of Chemical Physics;1998-08-01
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