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Volumn 115, Issue 6, 2001, Pages 2439-2448
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Density functional theory predictions of anharmonicity and spectroscopic constants for diatomic molecules
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Author keywords
[No Author keywords available]
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Indexed keywords
BORON COMPOUNDS;
CARBON MONOXIDE;
CHEMICAL BONDS;
ELECTRONIC STRUCTURE;
GROUND STATE;
MOLECULAR DYNAMICS;
MOLECULAR ORIENTATION;
MOLECULAR VIBRATIONS;
MOLECULES;
NITROGEN;
PROBABILITY DENSITY FUNCTION;
SPECTROSCOPIC ANALYSIS;
BORON FLUORIDE;
CENTRIFUGAL DISTORTION CONSTANT;
DENSITY FUNCTIONAL THEORY;
DIATOMIC MOLECULES;
EQUILIBRIUM BOND LENGTH;
HARMONIC VIBRATIONAL FREQUENCY;
ROTATIONAL CONSTANT;
SPECTROSCOPIC CONSTANTS;
VIBRATION-ROTATION INTERACTION CONSTANT;
VIBRATIONAL ANHARMONICITY;
ATOMIC PHYSICS;
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EID: 0035827972
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1386412 Document Type: Article |
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Times cited : (44)
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References (46)
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