Statistical mechanics of quantum-classical systems with holonomic constraints

被引:14
作者
Sergi, A [1 ]
机构
[1] Univ Messina, Dipartimento Fis, I-98166 Messina, Italy
关键词
D O I
10.1063/1.2159477
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
The statistical mechanics of quantum-classical systems with holonomic constraints is formulated rigorously by unifying the classical Dirac bracket and the quantum-classical bracket in matrix form. The resulting Dirac quantum-classical theory, which conserves the holonomic constraints exactly, is then used to formulate time evolution and statistical mechanics. The correct momentum-jump approximation for constrained systems arises naturally from this formalism. Finally, in analogy with what was found in the classical case, it is shown that the rigorous linear-response function of constrained quantum-classical systems contains nontrivial additional terms which are absent in the response of unconstrained systems. (c) 2006 American Institute of Physics.
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页数:10
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共 49 条
[1]   THE STATISTICAL DYNAMICS OF A SYSTEM CONSISTING OF A CLASSICAL AND A QUANTUM SUBSYSTEM [J].
ALEKSANDROV, IV .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1981, 36 (08) :902-908
[3]  
[Anonymous], HDB THEORETICAL COMP
[4]   A QUANTUM MOLECULAR-DYNAMICS STUDY OF PROTON-TRANSFER REACTIONS ALONG ASYMMETRICAL H-BONDS IN SOLUTION [J].
AZZOUZ, H ;
BORGIS, D .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (09) :7361-7375
[5]   KINETIC-EQUATION, SPIN HYDRODYNAMICS AND COLLISIONAL DEPOLARIZATION RATE IN A SPIN-POLARIZED PLASMA [J].
BALESCU, R ;
ZHANG, WY .
JOURNAL OF PLASMA PHYSICS, 1988, 40 :215-234
[6]   On nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I2-•Arn cluster ions (vol 106, pg 7102, 1997) [J].
Batista, VS ;
Coker, DF .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (13) :6583-6584
[7]  
BELL RP, 1975, PROTON CHEM
[8]   MOLECULAR-DYNAMICS SIMULATION FOR A MODEL NONADIABATIC PROTON-TRANSFER REACTION IN SOLUTION [J].
BORGIS, D ;
HYNES, JT .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (05) :3619-3628
[9]   A DYNAMICAL THEORY OF NONADIABATIC PROTON AND HYDROGEN-ATOM TRANSFER-REACTION RATES IN SOLUTION [J].
BORGIS, DC ;
LEE, SY ;
HYNES, JT .
CHEMICAL PHYSICS LETTERS, 1989, 162 (1-2) :19-26
[10]   SEMICLASSICAL PHYSICS AND QUANTUM FLUCTUATIONS [J].
BOUCHER, W ;
TRASCHEN, J .
PHYSICAL REVIEW D, 1988, 37 (12) :3522-3532