CALCULATIONS OF FREQUENCY-DEPENDENT PROPERTIES BY MULTICONFIGURATION TIME-DEPENDENT HARTREE-FOCK THEORY

被引：24
作者：
JASZUNSKI, M [1 ]
MCWEENY, R [1 ]
机构：
[1] UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S10 2TN,S YORKSHIRE,ENGLAND
来源：
MOLECULAR PHYSICS | 1982年 / 46卷 / 04期
关键词：
D O I：
10.1080/00268978200101641
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：863 / 873
页数：11
相关论文
共 45 条
[1]   FREQUENCY-DEPENDENT POLARIZABILITIES IN A MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK APPROXIMATION [J].
ALBERTSEN, P ;
JORGENSEN, P ;
YEAGER, DL .
MOLECULAR PHYSICS, 1980, 41 (02) :409-420
[2]   INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANTS WITHIN THE COUPLED MULTICONFIGURATION HARTREE-FOCK APPROXIMATION [J].
ALBERTSEN, P ;
JORGENSEN, P ;
YEAGER, DL .
CHEMICAL PHYSICS LETTERS, 1980, 76 (02) :354-358
[3]  
ALBERTSEN P, 1980, INT J QUANTUM CHEM S, V14, P289
[4]   POLARIZATION GREEN-FUNCTION WITH MULTICONFIGURATION SELF-CONSISTENT-FIELD REFERENCE STATES [J].
BANERJEE, A ;
KENNEY, JW ;
SIMONS, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (06) :1209-1237
[5]   PADE ALGORITHM FOR THE COMPUTATION OF STATIC AND DYNAMIC 2ND-ORDER PROPERTIES BY LARGE-SCALE CI-EXPANSION [J].
BENDAZZOLI, GL ;
EVANGELISTI, S ;
ORTOLANI, F .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (06) :1393-1404
[6]   THE CALCULATION OF 2ND-ORDER MOLECULAR-PROPERTIES AT THE CONFIGURATION-INTERACTION LEVEL OF ACCURACY [J].
DABORN, GT ;
FERGUSON, WI ;
HANDY, NC .
CHEMICAL PHYSICS, 1980, 50 (02) :255-263
[7]   CALCULATION OF HELIUM PAIR POLARIZABILITY INCLUDING CORRELATION EFFECTS [J].
DACRE, PD .
MOLECULAR PHYSICS, 1978, 36 (02) :541-551
[8]  
DACRE PD, MOL PHYS, V45, P17
[9]  
DACRE PD, COMMUNICATION
[10]   OPTIMIZATION OF ORBITALS FOR MULTICONFIGURATIONAL REFERENCE STATES [J].
DALGAARD, E ;
JORGENSEN, P .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (08) :3833-3844
12345