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
Link To Document :
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