ANALYSIS OF EQUATION-OF-MOTION THEORY OF ELECTRON-AFFINITIES AND IONIZATION-POTENTIALS

被引:22
作者
CHEN, TT
SIMONS, J
JORDAN, KD
机构
[1] UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
[2] MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
[3] YALE UNIV, DEPT ENGN & APPL SCI, MASON LAB, NEW HAVEN, CT 06520 USA
关键词
D O I
10.1016/0301-0104(76)80033-X
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:145 / 158
页数:14
相关论文
共 77 条
[1]   TIME-DEPENDENT HARTREE-FOCK THEORY .2. ELECTRON-PAIR BOND [J].
BALL, MA ;
MCLACHLAN, AD .
MOLECULAR PHYSICS, 1964, 7 (06) :501-&
[2]   ELECTRON AFFINITIES OF ETHYLENE AND 1,3-BUTADIENE [J].
BURROW, PD ;
JORDAN, KD .
CHEMICAL PHYSICS LETTERS, 1975, 36 (05) :594-598
[3]   DIRECT CALCULATION OF IONIZATION-POTENTIALS OF ATOMS AND MOLECULES - APPLICATION TO NE [J].
CEDERBAUM, LS ;
VON NIESSEN, W .
CHEMICAL PHYSICS LETTERS, 1974, 24 (02) :263-266
[4]   CALCULATION OF VERTICAL IONIZATION POTENTIALS OF FORMALDEHYDE BY MEANS OF PERTURBATION THEORY [J].
CEDERBAUM, LS ;
HOHLNEIC.G ;
PEYERIMH.S .
CHEMICAL PHYSICS LETTERS, 1971, 11 (04) :421-+
[5]   ONE-BODY GREENS FUNCTION FOR ATOMS AND MOLECULES - THEORY AND APPLICATION [J].
CEDERBAUM, LS .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1975, 8 (02) :290-303
[6]   IMPROVED CALCULATIONS OF IONIZATION-POTENTIALS OF CLOSED-SHELL MOLECULES [J].
CEDERBAUM, LS ;
HOHLNEICHER, G ;
NIESSEN, WV .
MOLECULAR PHYSICS, 1973, 26 (06) :1405-1424
[7]   BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN [J].
CEDERBAUM, LS ;
HOHLNEICHER, G ;
NIESSEN, W .
CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :503-508
[8]   NON-SINGLE-PARTICLE EXCITATIONS IN FINITE FERMI SYSTEMS [J].
CEDERBAUM, LS .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) :2160-2170
[9]   DIRECT CALCULATION OF IONIZATION POTENTIALS OF CLOSED-SHELL ATOMS AND MOLECULES [J].
CEDERBAUM, LS .
THEORETICA CHIMICA ACTA, 1973, 31 (03) :239-260
[10]   THEORETICAL STUDIES OF MOLECULAR IONS - VERTICAL IONIZATION-POTENTIALS OF NITROGEN MOLECULE [J].
CHEN, TT ;
SMITH, WD ;
SIMONS, J .
CHEMICAL PHYSICS LETTERS, 1974, 26 (02) :296-300