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

Volumn 37, Issue 3, 2004, Pages 571-585

  Kobus, J ^a   Moncrieff, D ^b   Wilson, S ^c  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b FLORIDA STATE UNIVERSITY   (United States)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DIATOMIC MOLECULES; ELECTRIC DIPOLE POLARIZABILITY; FINITE BASIS SET; HARTREE-FOCK CALCULATIONS; HYPERPOLARIZABILITIES;

APPROXIMATION THEORY; BORON COMPOUNDS; ELECTRIC PROPERTIES; FINITE DIFFERENCE METHOD; FLUORINE COMPOUNDS; GROUND STATE; HYDROGEN; LITHIUM COMPOUNDS;

MOLECULES;

EID: 1342333909     PISSN: 09534075     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-4075/37/3/004     Document Type: Article

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