TIME-DEPENDENT QUANTUM-MECHANICAL METHODS FOR MOLECULAR-DYNAMICS

被引:1666
作者
KOSLOFF, R [1 ]
机构
[1] HEBREW UNIV JERUSALEM, FRITZ HABER RES CTR MOLEC DYNAM, IL-91904 JERUSALEM, ISRAEL
关键词
D O I
10.1021/j100319a003
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:2087 / 2100
页数:14
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共 198 条
[31]  
DANIEL J, 1987, J CHEM PHYS, V87, P5302
[32]   REAL-TIME FEMTOSECOND PROBING OF TRANSITION-STATES IN CHEMICAL-REACTIONS [J].
DANTUS, M ;
ROSKER, MJ ;
ZEWAIL, AH .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (04) :2395-2397
[33]   SEMI-CLASSICAL GAUSSIAN-BASIS SET METHOD FOR MOLECULAR VIBRATIONAL WAVE-FUNCTIONS [J].
DAVIS, MJ ;
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3383-3395
[34]  
Dirac PAM, 1930, P CAMB PHILOS SOC, V26, P376
[35]   SEMICLASSICAL THEORY OF ATOM-SOLID SURFACE COLLISIONS - ELASTIC-SCATTERING [J].
DOLL, JD .
CHEMICAL PHYSICS, 1974, 3 (02) :257-264
[36]   SEMICLASSICAL THEORY OF ATOM-SOLID SURFACE COLLISIONS - APPLICATION TO HE-LIF DIFFRACTION [J].
DOLL, JD .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :954-957
[37]   INELASTIC-COLLISIONS WITHOUT USE OF TARGET STATES [J].
DROLSHAGEN, G ;
HELLER, EJ .
CHEMICAL PHYSICS LETTERS, 1984, 104 (2-3) :129-135
[38]   A WAVEPACKET APPROACH TO GAS SURFACE SCATTERING - APPLICATION TO SURFACES WITH IMPERFECTIONS [J].
DROLSHAGEN, G ;
HELLER, EJ .
SURFACE SCIENCE, 1984, 139 (01) :260-280
[39]   A COMPARISON OF SEMICLASSICAL WAVEPACKET, EXACT QUANTUM AND CLASSICAL TRAJECTORY CALCULATIONS FOR DIFFRACTIVE ATOM SURFACE SCATTERING [J].
DROLSHAGEN, G ;
VOLLMER, R .
CHEMICAL PHYSICS LETTERS, 1985, 122 (04) :333-341
[40]   A TIME-DEPENDENT WAVE PACKET APPROACH TO 3-DIMENSIONAL GAS SURFACE SCATTERING [J].
DROLSHAGEN, G ;
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :2072-2082