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Six-Dimensional Energy-Switching Potential Energy Surface for HeHCN
Ansari, Wazir-ul H.; Varandas, António J. C.A single-valued six-dimensional (6D) potential energy surface is determined for HeHCN by using the energy switching (ES) method, which utilizes a global double many-body expansion (DMBE) as well as a Legendre polynomial expansion for different energy regimes. The ES potential has a linear van der Waals well of 29.5 cm-1 which is about 4 cm-1 lower than that reported by Drucker et al. [J. Phys. Chem. 1995, 99, 2...
Data: 2002
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Origem: Estudo Geral - Universidade de Coimbra
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