“卡尔-帕里内洛分子动力学”的概念、定义、翻译、参考文献-科学参考

单词	卡尔-帕里内洛分子动力学
释义	卡尔-帕里内洛分子动力学 Encyclopedia 理学计算与理论化学释 Car-Parrinello molecular dynamics; CPMD卡尔-帕里内洛分子动力学结合了密度泛函理论计算分子间相互作用的分子动力学模拟方法。属于更广泛的从头算分子动力学的一种。由于通常所研究的是玻恩-奥本海默近似下单个势能面上的原子核运动。又称玻恩-奥本海默分子动力学。 Chemistry ＞理论与计算化学＞分子力学＞释义 Car-Parrinello molecular dynamics卡尔-帕里内洛分子动力学
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