ON THE EQUILIBRIUM BOND-LENGTH OF AMMONIA IN THE FIRST EXCITED SINGLET-STATE

被引：16

作者：

STANTON, JF ^{[1
]}

KADAGATHUR, NS ^{[1
]}

机构：

[1] UNIV TEXAS,INST THEORET CHEM,DEPT BIOCHEM,AUSTIN,TX 78712

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 02期

关键词：

D O I：

10.1063/1.469458

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

页码：1096 / 1097

页数：2

共 26 条

[1]

[Anonymous], 1986, AB INITIO MOL ORBITA

[2] NONITERATIVE 5TH-ORDER TRIPLE AND QUADRUPLE EXCITATION-ENERGY CORRECTIONS IN CORRELATED METHODS [J].

BARTLETT, RJ ;

WATTS, JD ;

KUCHARSKI, SA ;

NOGA, J .

CHEMICAL PHYSICS LETTERS, 1990, 165 (06) :513-522

[3] THE ELECTRONIC ABSORPTION-SPECTRUM OF NH-3 IN THE VALENCE SHELL DISCRETE AND CONTINUUM REGIONS - ABSOLUTE OSCILLATOR-STRENGTHS FOR PHOTOABSORPTION (5-200 EV) [J].

BURTON, GR ;

CHAN, WF ;

COOPER, G ;

BRION, CE .

CHEMICAL PHYSICS, 1993, 177 (01) :217-231

[4]

DONELLY VM, 1979, CHEM PHYS, V43, P271

[5]

DOUGLAS AE, 1963, DISCUSS FARADAY SOC, V35, P158

[6] ELECTRON-AFFINITIES OF THE 1ST-ROW ATOMS REVISITED - SYSTEMATIC BASIS-SETS AND WAVE-FUNCTIONS [J].

KENDALL, RA ;

DUNNING, TH ;

HARRISON, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6796-6806

[7] DISSOCIATION OF NH3 TO NH2+H [J].

MCCARTHY, MI ;

ROSMUS, P ;

WERNER, HJ ;

BOTSCHWINA, P ;

VAIDA, V .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :6693-6700

[8] THEORY OF SELF-CONSISTENT ELECTRON PAIRS - ITERATIVE METHOD FOR CORRELATED MANY-ELECTRON WAVEFUNCTIONS [J].

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (07) :2901-2907

[9] A FULL COUPLED-CLUSTER SINGLES AND DOUBLES MODEL - THE INCLUSION OF DISCONNECTED TRIPLES [J].

PURVIS, GD ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) :1910-1918

[10] A 5TH-ORDER PERTURBATION COMPARISON OF ELECTRON CORRELATION THEORIES [J].

RAGHAVACHARI, K ;

TRUCKS, GW ;

POPLE, JA ;

HEADGORDON, M .

CHEMICAL PHYSICS LETTERS, 1989, 157 (06) :479-483

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