QUANTUM MONTE-CARLO FOR FLOPPY MOLECULES - VIBRATIONAL-STATES OF C-3

被引：20

作者：

BROWN, WR ^{[1
]}

GLAUSER, WA ^{[1
]}

LESTER, WA ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 103卷 / 22期

关键词：

D O I：

10.1063/1.469935

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：

Correlation function quantum Monte Carlo, a stochastic method for simultaneously computing ground and excited states, has been used to calculate vibrational states of C-3 to ascertain the usefulness of the approach for weakly bound systems. Up to 14 low lying states of C-3 were determined for two potential energy surfaces. Furthermore, the vibrational wave functions have been examined to ascertain the linearity of C-3

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页码：9721 / 9725

页数：5

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