Author(s):
Acioli, Paulo H. 
; Costa, L. S. ; Prudente, Frederico V.
Date: 2000
Persistent ID: http://hdl.handle.net/10316/5247
Origin: Estudo Geral - Universidade de Coimbra
Document details
Quantum Monte Carlo study of vibrational states of silanone
Description
We report correlation function quantum Monte Carlo (CFQMC) calculations of the vibrational levels on the silanone potential energy surface developed by Koput and co-workers. We computed the vibrational modes up to 3500 cm-1 and up to the fifth excited vibrational mode. Our results are in agreement with those reported by Koput et al. These results are important to future theoretical and experimental investigation of the H2SiO molecule, as spectroscopic data in this system are scarce. http://www.sciencedirect.com/science/article/B6TFN-402K975-P/1/ee84791dcfb0d97d2dcea49cfd9c797c
We report correlation function quantum Monte Carlo (CFQMC) calculations of the vibrational levels on the silanone potential energy surface developed by Koput and co-workers. We computed the vibrational modes up to 3500 cm-1 and up to the fifth excited vibrational mode. Our results are in agreement with those reported by Koput et al. These results are important to future theoretical and experimental investigation of the H2SiO molecule, as spectroscopic data in this system are scarce. http://www.sciencedirect.com/science/article/B6TFN-402K975-P/1/ee84791dcfb0d97d2dcea49cfd9c797c
Document Type
Article
Language English
Language English
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