MULTICONFIGURATION TIME-DEPENDENT SELF-CONSISTENT FIELD APPROXIMATION FOR CURVE CROSSING IN PRESENCE OF A BATH - A FAST FOURIER-TRANSFORM STUDY

被引:94
作者
KOTLER, Z
NITZAN, A
KOSLOFF, R
机构
[1] HEBREW UNIV JERUSALEM,DEPT PHYS CHEM,IL-91904 JERUSALEM,ISRAEL
[2] HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR MOLEC DYNAM,IL-91904 JERUSALEM,ISRAEL
关键词
D O I
10.1016/0009-2614(88)85247-3
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:483 / 489
页数:7
相关论文
共 15 条
[1]   EXACT TIME-DEPENDENT QUANTUM-MECHANICAL DISSOCIATION DYNAMICS OF I2HE - COMPARISON OF EXACT TIME-DEPENDENT QUANTUM CALCULATION WITH THE QUANTUM TIME-DEPENDENT SELF-CONSISTENT (TDSCF) APPROXIMATION [J].
BISSELING, RH ;
KOSLOFF, R ;
GERBER, RB ;
RATNER, MA ;
GIBSON, L ;
CERJAN, C .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2760-2765
[2]   SOLUTION OF THE SCHRODINGER-EQUATION BY A SPECTRAL METHOD [J].
FEIT, MD ;
FLECK, JA ;
STEIGER, A .
JOURNAL OF COMPUTATIONAL PHYSICS, 1982, 47 (03) :412-433
[3]   RATE THEORIES AND PUZZLES OF HEMEPROTEIN KINETICS [J].
FRAUENFELDER, H ;
WOLYNES, PG .
SCIENCE, 1985, 229 (4711) :337-345
[4]   EFFECT OF FRICTION ON ELECTRON-TRANSFER IN BIOMOLECULES [J].
GARG, A ;
ONUCHIC, JN ;
AMBEGAOKAR, V .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) :4491-4503
[5]   TIME-DEPENDENT SELF-CONSISTENT FIELD APPROXIMATION FOR INTRAMOLECULAR ENERGY-TRANSFER .1. FORMULATION AND APPLICATION TO DISSOCIATION OF VANDERWAALS MOLECULES [J].
GERBER, RB ;
BUCH, V ;
RATNER, MA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (06) :3022-3030
[6]   SELF-CONSISTENT-FIELD METHODS FOR VIBRATIONAL EXCITATIONS IN POLYATOMIC SYSTEMS [J].
GERBER, RB ;
RATNER, MA .
ADVANCES IN CHEMICAL PHYSICS, 1988, 70 :97-132
[7]   A FOURIER METHOD SOLUTION FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION AS A TOOL IN MOLECULAR-DYNAMICS [J].
KOSLOFF, D ;
KOSLOFF, R .
JOURNAL OF COMPUTATIONAL PHYSICS, 1983, 52 (01) :35-53
[8]   A FOURIER METHOD SOLUTION FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION - A STUDY OF THE REACTION H++H-2, D++HD, AND D++H-2 [J].
KOSLOFF, R ;
KOSLOFF, D .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :1823-1833
[9]  
KOSLOFF R, 1987, LARGE FINITE SYSTEMS
[10]   TIME-DEPENDENT SELF-CONSISTENT FIELD (TDSCF) APPROXIMATION FOR A REACTION COORDINATE COUPLED TO A HARMONIC BATH - SINGLE AND MULTIPLE CONFIGURATION TREATMENTS [J].
MAKRI, N ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (10) :5781-5787