Theoretical study of specific, highly excited states in DFCO

被引：0

作者：

Iung, Christophe ^{[1
]}

Pasin, Gauthier ^{[1
]}

Gatti, F. ^{[1
]}

机构：

[1] Univ Montpellier 2, CNRS, UMR 5636, LSDSMS, F-34095 Montpellier, France

来源：

RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B | 2006年 / 7A-B卷

关键词：

Davidson; MCTDH; overtone; DFCO;

D O I：

暂无

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

We present the method used to calculate highly excited out-of-plane overtones based on a modified Davidson scheme which yields selectively one high-energy vibrationally excited eigenstate or a series of eigenstates. This study focuses on the 7(th) out-of-plane overtone which has been studied by Moore and coworkers. A link between the expression of the vertical bar 8 nu(out-of-plane) > eigenstate and the dynamical behavior of a DFCO molecule whose out-of-plane mode is initially excited by 8 quanta is established. This time-dependent information is provided by the MCTDH code developed in Heidelberg by Meyer and coworkers.

引用

页码：1416 / 1420

页数：5

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