POTENTIAL-ENERGY SURFACES OF MG+N2 AND QUENCHING OF THE 3P AND 1P STATES OF MG - A THEORETICAL ABINITIO SCF CI STUDY

被引:5
作者
CHAQUIN, P
SEVIN, A
机构
关键词
D O I
10.1016/0301-0104(88)87045-9
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:351 / 357
页数:7
相关论文
共 38 条
[21]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[22]  
GORDON MS, 1982, J AM CHEM SOC, V104, P2997
[23]   POTENTIAL CURVES FOR THE GROUND AND EXCITED-STATES OF THE NAN2 SYSTEM [J].
HABITZ, P .
CHEMICAL PHYSICS, 1980, 54 (01) :131-138
[24]   PROGRESS IN ELECTRONIC-TO-VIBRATIONAL ENERGY TRANSFER [J].
Hertel, I. V. .
ADVANCES IN CHEMICAL PHYSICS <D>, 1982, 50 :475-515
[25]   ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS [J].
HURON, B ;
MALRIEU, JP ;
RANCUREL, P .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5745-5759
[26]  
Klabunde K.J., 1980, CHEM FREE ATOMS PART
[27]   FAR-WING ABSORPTION PROFILES OF A REACTIVE COLLISION - MG + H2 [J].
KLEIBER, PD ;
LYYRA, AM ;
SANDO, KM ;
HENEGHAN, SP ;
STWALLEY, WC .
PHYSICAL REVIEW LETTERS, 1985, 54 (18) :2003-2006
[28]   SYMMETRY CONSIDERATIONS AND CORRELATION DIAGRAMMATIC ANALYSES OF CERTAIN PHOTOCHEMICAL REACTIONS WITH AND WITHOUT SPIN INVERSION [J].
LEE, TS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (12) :3909-3918
[29]   ON THE SIZE CONSISTENCE OF A FEW APPROXIMATE MULTIREFERENCE CI SCHEMES [J].
MALRIEU, JP .
THEORETICA CHIMICA ACTA, 1982, 62 (02) :163-174
[30]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622