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
[31]  
MOORE CE, 1949, ATOMIC ENERGY LEVELS, V1
[32]  
NIKITIN EE, 1974, THEORY ATOMIC MOL PR
[33]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .24. SUPPLEMENTED SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].
PIETRO, WJ ;
FRANCL, MM ;
HEHRE, WJ ;
DEFREES, DJ ;
POPLE, JA ;
BINKLEY, JS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (19) :5039-5048
[34]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89
[35]   RESONANCES IN ELECTRON-IMPACT ON DIATOMIC-MOLECULES [J].
SCHULZ, GJ .
REVIEWS OF MODERN PHYSICS, 1973, 45 (03) :423-486
[36]   A THEORETICAL ABINITIO SCF CI INVESTIGATION OF THE NA+H2 REACTION - THE POSSIBILITY OF NEW PHOTOREACTIVE CHANNELS IN THE 4 EV REGION [J].
SEVIN, A ;
CHAQUIN, P .
CHEMICAL PHYSICS, 1985, 93 (01) :49-61
[37]   THEORETICAL-STUDY OF THE GROUND-STATE AND EXCITED-STATE REACTIVITY OF NA + FH - COMPARISON OF SCF-CI AND VB TREATMENTS [J].
SEVIN, A ;
HIBERTY, PC ;
LEFOUR, JM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (06) :1845-1852
[38]   AB-INITIO CALCULATION OF POTENTIAL-ENERGY SURFACE OF SYSTEM N2LI+ [J].
STAEMMLER, V .
CHEMICAL PHYSICS, 1975, 7 (01) :17-29