【摘 要】
：
Path integral molecular dynamics(PIMD) [1] and the linearized semiclassical initial value representation(LSC-IVR) with the local Gaussian approximation(LGA) [2],combined with the(Time-dependent) Densi
【机 构】
：
College of Chemistry and Molecular Engineering,Peking University,P.R.China
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
论文部分内容阅读
Path integral molecular dynamics(PIMD) [1] and the linearized semiclassical initial value representation(LSC-IVR) with the local Gaussian approximation(LGA) [2],combined with the(Time-dependent) Density Functional Theory [3],were performed to study quantum effects in the electronic and vibrational spectroscopy of trans-stilbene in gas phase and in solution.
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