Based on Quantum Chemistry Method to Calculate Intermolecular Interactions and Molecular Dynamics Simulations of Methane Fluids
碩士 === 臺灣大學 === 應用力學研究所 === 98 === We have calculated the interaction potentials of the “ Inert gas-Inert gas ” and 3 “ Inert gas-Methane ” using the Hartree-Fock (HF) self-consistent theory, the correlation-corrected second-order Møller-Plesset (MP2) perturbation theory, and the density functiona...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/48099862687473246885 |