NEAR HARTREE-FOCK CALCULATION OF THE H+H2 POTENTIAL-ENERGY SURFACE

被引：4

作者：

LEWCHENKO, V

HANCOCK, GC

CERTAIN, PR

机构：

[1] UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706

[2] UNIV WISCONSIN,DEPT CHEM,MADISON,WI 53706

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 06期

关键词：

D O I：

10.1063/1.443354

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：3119 / 3122

页数：4

共 12 条

[1] INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .2. H+H2 ROTATIONAL EXCITATION [J].

CHOI, BH ;

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1783-1796

[2] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[3] ACCURATE ELECTRONIC WAVE FUNCTIONS FOR THE H-2 MOLECULE [J].

KOLOS, W ;

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :219-232

[4] AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3 [J].

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1925-1937

[5] ANISOTROPY OF H2-H POTENTIAL-ENERGY SURFACE [J].

NORBECK, JM ;

CERTAIN, PR ;

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) :590-591

[6] AB-INITIO VALENCE BOND CALCULATIONS OF POTENTIAL-ENERGY SURFACE FOR H+H2 [J].

NORBECK, JM ;

CERTAIN, PR .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (10) :4127-4132

[7] ACCURATE 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-3 [J].

SIEGBAHN, P ;

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2457-2465

[8] CORRECTION [J].

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (02) :786-786

[9] CORRECTION [J].

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (01) :375-375

[10] SIMPLE THEORETICAL-MODEL FOR VANDERWAALS POTENTIAL AT INTERMEDIATE DISTANCES .1. SPHERICALLY SYMMETRIC POTENTIALS [J].

TANG, KT ;

TOENNIES, JP .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (04) :1496-1506

← 1 2 →