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单词
Car-Parrinello molecular dynamics
释义
Car-Parrinello molecular dynamics
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。
Physics
＞计算物理学＞释义
Car-Parrinello molecular dynamics, CPMD
卡-帕瑞雷诺分子动力学
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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