AVOIDED INTERSECTION OF POTENTIAL-ENERGY SURFACES - (H+ + H2, H + H+/2) SYSTEM

被引：84

作者：

BAUSCHLI.CW

ONEIL, SV

PRESTON, RK

SCHAEFER, HF

BENDER, CF

机构：

[1] UNIV CALIF,LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550

[2] UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720

[3] UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 03期

关键词：

D O I：

10.1063/1.1680181

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：1286 / 1292

页数：7

共 19 条

[1] WAVE FUNCTIONS OF THE HYDROGEN MOLECULAR ION [J].

BATES, DR ;

LEDSHAM, K ;

STEWART, AL .

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 246 (911) :215-240

[2] AB-INITIO SCF-MO-CI CALCULATIONS FOR H-, H2, AND H3+ USING GAUSSIAN BASIS SETS [J].

CSIZMADIA, IG ;

KARI, RE ;

POLANYI, JC ;

ROACH, AC ;

ROBB, MA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6205-+

[3] FIRST EXCITED 1SIGMAG+ STATE OF HYDROGEN MOLECULE [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) :1189-&

[4] 1ST EXCITED 1-SIGMA-G+ STATE OF H-2 - A DOUBLE-MINIMUM PROBLEM [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (05) :1577-1577

[5] A METHOD OF DIATOMICS IN MOLECULES .2. H3 AND H3+1 [J].

ELLISON, FO ;

PATEL, JC ;

HUFF, NT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (22) :3544-&

[6] A METHOD OF DIATOMICS IN MOLECULES .1. GENERAL THEORY AND APPLICATION TO H2O [J].

ELLISON, FO .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (22) :3540-&

[7]

Herzberg G., 1950, ELECT SPECTRA ELECT

[8] IMPROVED THEORETICAL GROUND-STATE ENERGY OF HYDROGEN MOLECULE [J].

KOLOS, W ;

WOLNIEWICZ, L .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (01) :404-+

[9] THEORETICAL INVESTIGATION OF LOWEST DOUBLE-MINIMUM STATE E,F1SIGMAG+ OF HYDROGEN MOLECULE [J].

KOLOS, W ;

WOLNIEWICZ, L .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (08) :3228-+

[10]

Landau, 1932, PHYS Z SOWJETUNION, V2, P46, DOI DOI 10.1098/RSPA.1932.0165

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