SEMI-EMPIRICAL VALENCE BOND POTENTIAL-ENERGY SURFACES FOR HOMONUCLEAR ALKALI TRIMERS

被引:31
作者
VARANDAS, AJC [1 ]
MORAIS, VMF [1 ]
机构
[1] UNIV PORTO, INST CIENCIAS BIOMED ABEL SALAZAR, PORTO, PORTUGAL
关键词
D O I
10.1080/00268978200100932
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
收藏
页码:1241 / 1251
页数:11
相关论文
共 39 条
[1]  
BAGUS PS, 1977, FARADAY DISCUSS, V62, P321
[2]   EMPIRICAL EVALUATION OF LONDON POTENTIAL ENERGY SURFACE FOR H PLUS H2 REACTION [J].
CASHION, JK ;
HERSCHBACH, DR .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2358-&
[3]   NEW DIATOMICS-IN-MOLECULES STUDY OF LI-3 AND LI-4 [J].
COMPANION, AL .
CHEMICAL PHYSICS LETTERS, 1978, 56 (03) :500-502
[4]   APPLICATIONS OF DIATOMICS-IN-MOLECULES THEORY .2. PREDICTION OF A STABLE LI3 MOLECULE [J].
COMPANION, AL ;
STEIBLE, DJ ;
STARSHAK, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3637-+
[5]   AB-INITIO RESTRICTED HARTREE-FOCK AND CONFIGURATION INTERACTION CALCULATIONS FOR LI3 [J].
DAVIES, DW ;
DELCONDE, G .
CHEMICAL PHYSICS, 1976, 12 (01) :45-49
[6]   HIGH-TEMPERATURE TRANSPORT PROPERTIES OF ALKALI METAL VAPORS [J].
DAVIES, RH ;
MASON, EA ;
MUNN, RJ .
PHYSICS OF FLUIDS, 1965, 8 (03) :444-+
[7]   MOLECULAR-CONSTANTS AND POTENTIAL CURVES OF NA2 FROM LASER-INDUCED FLUORESCENCE [J].
DEMTRODER, W ;
STOCK, M .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) :476-486
[8]   4-CENTRE REACTION I-2+F-2 STUDIED BY LASER-INDUCED CHEMILUMINESCENCE IN MOLECULAR-BEAMS [J].
ENGELKE, F ;
WHITEHEAD, JC ;
ZARE, RN .
FARADAY DISCUSSIONS, 1977, 62 :222-231
[9]   IONIZATION POTENTIALS OF CLUSTERED ALKALI METAL ATOMS [J].
FOSTER, PJ ;
LECKENBY, RE ;
ROBBINS, EJ .
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1969, 2 (04) :478-&
[10]   DYNAMIC JAHN-TELLER EFFECT IN ELECTRONIC GROUND-STATE OF LI3 - ABINITIO CALCULATION OF BO HYPERSURFACE AND LOWEST VIBRONIC STATES OF LI3 [J].
GERBER, WH ;
SCHUMACHER, E .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) :1692-1703