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• W2056500181 abstract "We present an analysis of the complex of water with CO which includes (a) a new potential energy surface obtained by fitting ab initio points, followed by adjustment against experimental rotational, spin–spin and quadrupole coupling constants; (b) diffusion Monte Carlo (DMC) studies of the ground vibrational state, and of three excited vibrational states, at J=0. A new approach is suggested for DMC calculation of intermolecular vibrational frequencies." @default.
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• W2056500181 date "1996-12-15" @default.
• W2056500181 modified "2023-10-09" @default.
• W2056500181 title "Ground and excited states of the complex of CO with water: A diffusion Monte Carlo study" @default.
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• W2056500181 doi "https://doi.org/10.1063/1.472967" @default.
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