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

Authors
BROWN WR GLAUSER WA LESTER WA
Citation
Wr. Brown et al., QUANTUM MONTE-CARLO FOR FLOPPY MOLECULES - VIBRATIONAL-STATES OF C-3, The Journal of chemical physics, 103(22), 1995, pp. 9721-9725
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
103
Issue
22
Year of publication
1995
Pages
9721 - 9725
Database
ISI
SICI code
0021-9606(1995)103:22<9721:QMFFM->2.0.ZU;2-4
Abstract
Correlation function quantum Monte Carlo, a stochastic method for simu ltaneously computing ground and excited states, has been used to calcu late vibrational states of C-3 to ascertain the usefulness of the appr oach for weakly bound systems. Up to 14 low lying states of C-3 were d etermined for two potential energy surfaces. Furthermore, the vibratio nal wave functions have been examined to ascertain the linearity of C- 3