Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation
The extent of the anharmonicity in the solid and liquid states of a simple 32-particle model liquid was studied. Strong variations in the anharmonicities were observed when the density changes. Using reversible-scaling simulations, anharmonicity was quantified in a simple biopolymer with implicit so...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2001
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