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- W1978567188 abstract "We present a new method for treating the dynamics of molecular systems. The method has been named quantum dressed classical mechanics and is based on an expansion of the wave function in a time-dependent basis-set, the Gauss–Hermite basis-set. From here it is possible to proceed in two ways, one is in principle exact and the other approximate. In the exact approach one constructs a discrete variable representation (DVR) in which the grid points are defined by the Hermite part of the Gauss–Hermite basis set. In the approximate method a second order expansion of the potential around the classical trajectories is introduced and the quantum dymamics solved in a second quantization rather than a wave-function representation." @default.
- W1978567188 created "2016-06-24" @default.
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- W1978567188 date "2003-03-01" @default.
- W1978567188 modified "2023-10-14" @default.
- W1978567188 title "A QUANTUM-CLASSICAL APPROACH TO MOLECULAR DYNAMICS" @default.
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- W1978567188 doi "https://doi.org/10.1142/s021963360300032x" @default.
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