POLARIZATION CL WAVEFUNCTIONS - VALENCE STATES OF NH RADICAL

被引:151
作者
HAY, PJ [1 ]
DUNNING, TH [1 ]
机构
[1] UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORETICAL,LOS ALAMOS,NM 87545
关键词
D O I
10.1063/1.432180
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
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页码:5077 / 5087
页数:11
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[11]   THEORETICAL ELECTRONIC TRANSITION PROBABILITIES IN DIATOMIC MOLECULES .1. HYDRIDES [J].
HENNEKER, WH ;
POPKIE, HE .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (04) :1763-&
[12]   SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2 [J].
HUNT, WJ ;
HAY, PJ ;
GODDARD, WA III .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) :738-+
[13]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[14]   NATURAL-ORBITAL VALENCE-SHELL CI STUDIES OF DIATOMIC MOLECULES .1. POTENTIAL-ENERGY CURVES AND SPECTRA OF IMIDOGEN [J].
KOUBA, J ;
OHRN, Y .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5387-&
[15]   EVALUATION OF MOLECULAR CONSTANTS AND TRANSITION PROBABILITIES FOR NH FREE-RADICAL [J].
LENTS, JM .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 1973, 13 (04) :297-310
[16]  
MEYER W, 1975, J CHEM PHYS, V63, P2365
[18]   AB-INITIO POTENTIAL CURVE FOR X 3SIGMAG- STATE OF 02 [J].
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) :2207-&
[19]   SHOCK-TUBE MEASUREMENT OF DISSOCIATION ENERGY OF NH USING ABSOLUTE BAND INTENSITIES [J].
SEAL, KE ;
GAYDON, AG .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1966, 89 (564P) :459-&
[20]   MANY-ELECTRON THEORY OF NONCLOSED-SHELL ATOMS AND MOLECULES .I. ORBITAL WAVEFUNCTION AND PERTURBATION THEORY [J].
SILVERSTONE, HJ ;
SINANOGL.O .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1899-+