Title of article
Quantum Monte Carlo study of vibrational states of silanone
Author/Authors
Acioli، نويسنده , , Paulo H. and Costa، نويسنده , , L.S. and Prudente، نويسنده , , Frederico V.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
5
From page
121
To page
125
Abstract
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.
Journal title
Chemical Physics Letters
Serial Year
2000
Journal title
Chemical Physics Letters
Record number
1782096
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