AN ENERGY-INDEPENDENT EFFECTIVE HAMILTONIAN FOR ETHYLENE

被引:11
作者
BAKER, H
HEGARTY, D
ROBB, MA
机构
关键词
D O I
10.1080/00268978000103051
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:653 / 668
页数:16
相关论文
共 14 条
[11]  
Parr R. G., 1963, QUANTUM THEORY MOL E
[12]   EFFICIENT METHODS FOR CONFIGURATION INTERACTION CALCULATIONS [J].
SEGAL, GA ;
WETMORE, RW ;
WOLF, K .
CHEMICAL PHYSICS, 1978, 30 (02) :269-297
[13]   ABINITIO CALCULATION OF EFFECTIVE VALENCE SHELL HAMILTONIAN OF CARBON - SIMULTANEOUS TREATMENT OF NEUTRAL AND ION STATES [J].
YEAGER, DL ;
SUN, H ;
FREED, KF ;
HERMAN, MF .
CHEMICAL PHYSICS LETTERS, 1978, 57 (04) :490-495
[14]   EQUATIONS OF MOTION METHOD - EXCITATION-ENERGIES AND INTENSITIES IN FORMALDEHYDE [J].
YEAGER, DL ;
MCKOY, V .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2714-2716