DENSITY-OF-STATES FOR COMPLEX-MOLECULES

被引：1

作者：

KUSNEZOV, D

机构：

[1] Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven

来源：

PHYSICAL REVIEW A | 1994年 / 50卷 / 04期

关键词：

D O I：

10.1103/PhysRevA.50.R2814

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

A framework is presented to compute absolute thermodynamic properties of complex molecules which are described algebraically. Using some basic properties of the algebraic formalism, it is pointed out that one can compute not only ensemble averages, but the absolute thermal quantities such as the density of states and partition function. Some results are presented for a simple diatomic molecule and for C2H2.

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页码：R2814 / R2817

页数：4

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