Spin-Orbit Coupling in Molecules

被引：162
作者：
Marian, Christel M. [1 ]
机构：
[1] Schloss Birlinghoven, German Natl Res Ctr Informat Technol GMD, Sci Comp & Algorithms Inst SCAI, D-53754 St Augustin, Germany
来源：
REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 17 | 2001年 / 17卷
关键词：
D O I：
10.1002/0471224413.ch3
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
[No abstract available]
引用
收藏
页码：99 / 204
页数：106
相关论文
共 201 条
[81]   The ground state of the two-electron problem of H(-), He, Li(+) ,Be (++) ao [J].
Hylleraas, Egil A. .
ZEITSCHRIFT FUR PHYSIK, 1930, 65 (3-4) :209-225
[82]   EVALUATION OF MOLECULAR SPIN-ORBIT INTEGRALS BY AA GAUSSIAN EXPANSION METHOD [J].
ITO, H ;
IHAYA, YJ .
MOLECULAR PHYSICS, 1972, 24 (05) :1103-&
[83]   REVISION OF THE DOUGLAS-KROLL TRANSFORMATION [J].
JANSEN, G ;
HESS, BA .
PHYSICAL REVIEW A, 1989, 39 (11) :6016-6017
[84]   GAUSSIAN-TRANSFORM METHOD FOR MOLECULAR INTEGRALS .2. EVALUATION OF MOLECULAR PROPERTIES [J].
KERN, CW ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) :415-&
[85]  
Kim MC, 1996, CHEM PHYS LETT, V253, P216
[86]   COMPUTATION OF ONE-ELECTRON AND 2-ELECTRON SPIN-ORBIT INTEGRALS [J].
KING, HF ;
FURLANI, TR .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (07) :771-778
[87]  
KLEINSCHMIDT M, 1999, THESIS U BONN
[88]  
KLEINSCHMIDT M, IN PRESS
[89]  
KLEINSCHMIDT M, J MOL SPECTROS UNPUB
[90]   CALCULATION OF SPIN-FORBIDDEN RADIATIVE TRANSITIONS USING CORRELATED WAVEFUNCTIONS - LIFETIMES OF B1-SIGMA-+, A1-DELTA-STATES IN O2, S2 AND SO [J].
KLOTZ, R ;
MARIAN, CM ;
PEYERIMHOFF, SD ;
HESS, BA ;
BUENKER, RJ .
CHEMICAL PHYSICS, 1984, 89 (02) :223-236
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