Topological effects in molecular systems: an attempt towards a complete theory

被引：52

作者：

Baer, M ^{[1
]}

机构：

[1] Soreq NRC, Div Appl Phys, Dept Appl Math & Phys, IL-81800 Yavne, Israel

来源：

CHEMICAL PHYSICS | 2000年 / 259卷 / 2-3期

关键词：

D O I：

10.1016/S0301-0104(00)00193-2

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：

In this paper, we concentrate on three subjects which in our opinion constitute important segments in the theory of topological effects in molecular systems: (a) the adiabatic-to-diabatic transformation matrix; (b) the line integral and the 'quantization' of the non-adiabatic coupling matrix along a closed path; (c) the inclusion of topological effects in the Born-Oppenheimer approximation. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：123 / 147

页数：25

共 60 条

[41] CONDITIONS FOR THE DEFINITION OF A STRICTLY DIABATIC ELECTRONIC BASIS FOR MOLECULAR-SYSTEMS [J].

MEAD, CA ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (12) :6090-6098

[42] Probing the nature of surface intersection by ab initio calculations of the nonadiabatic coupling matrix elements:: A conical intersection due to bending motion in C2H [J].

Mebel, AM ;

Baer, M ;

Lin, SH .

JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (24) :10703-10706

[43] A PSEUDO-JAHN-TELLER TREATMENT OF THE PSEUDOROTATIONAL SPECTRUM OF NA3 [J].

MEISWINKEL, R ;

KOPPEL, H .

CHEMICAL PHYSICS, 1990, 144 (01) :117-128

[44] QUANTUM PHOTOCHEMISTRY - THE COMPETITION BETWEEN ELECTRONICALLY NONADIABATIC REACTION AND ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL, TRANSLATIONAL ENERGY-TRANSFER IN BR-ASTERISK COLLISIONS WITH H-2 [J].

MIELKE, SL ;

TRUHLAR, DG ;

SCHWENKE, DW .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (44) :16210-16216

[45] APPROXIMATELY DIABATIC STATES FROM BLOCK DIAGONALIZATION OF THE ELECTRONIC HAMILTONIAN [J].

PACHER, T ;

CEDERBAUM, LS ;

KOPPEL, H .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (12) :7367-7381

[46]

Pacher T., 1993, Adv. Chem. Phys, V84, P293, DOI DOI 10.1002/9780470141427.CH4

[47] EFFECTS OF SURFACE CROSSING IN CHEMICAL REACTIONS - H3+ SYSTEM [J].

PRESTON, RK ;

TULLY, JC .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10) :4297-&

[48] Go to the interaction between the electron and nuclear motion in one triatomic, rod-shaped molecules [J].

Renner, R. .

ZEITSCHRIFT FUR PHYSIK, 1934, 92 (3-4) :172-193

[49] Towards the ab initio determination of strictly diabatic states, study for (NaRb)+ [J].

Romero, T ;

Aguilar, A ;

Gadea, FX .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (13) :6219-6228

[50]

TAWA GJ, 1994, ADV MOL VIBRATIONS B, V2, P45

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