Car–Parrinello molecular dynamics

（重定向自CPMD）

Car–Parrinello molecular dynamics or CPMD usually refers to either the computational chemistry software package CPMD, a parallelized plane wave / pseudopotential implementation of density functional theory, particularly designed for ab initio molecular dynamics, or the underlying theory known as the Car–Parrinello method, which is related to the more common Born–Oppenheimer molecular dynamics (BOMD) method in that the quantum mechanical effect of the electrons is included in the calculation of energy and forces for the classical motion of the nuclei, but whereas BOMD treats the electronic structure problem within the time-independent Schrödinger equation, CPMD explicitly includes the electrons as active degrees of freedom, via (fictitious) dynamical variables.

词汇	CPMD
分类	英语词汇英语翻译词典
释义	CPMD 英语百科 Car–Parrinello molecular dynamics （重定向自CPMD） Car–Parrinello molecular dynamics or CPMD usually refers to either the computational chemistry software package CPMD, a parallelized plane wave / pseudopotential implementation of density functional theory, particularly designed for ab initio molecular dynamics, or the underlying theory known as the Car–Parrinello method, which is related to the more common Born–Oppenheimer molecular dynamics (BOMD) method in that the quantum mechanical effect of the electrons is included in the calculation of energy and forces for the classical motion of the nuclei, but whereas BOMD treats the electronic structure problem within the time-independent Schrödinger equation, CPMD explicitly includes the electrons as active degrees of freedom, via (fictitious) dynamical variables.
随便看	holocoenotic holocoenotic environment holocom holocompsa debilis Holocost holocrine Holocrine gland Holocrine glands Holocrine secretion holocrine type holocriny holocryptic holocrystalline holo crystalline holocrystalline interstitial holocrystalline porphyritic holocrystalline rock holocrystalline rocks holocrystalline texture holocrystallinity holocube holocurtinol holocyclic holocyclic species holocyclus ixodes 告白情书吊坠是什么意思忘情书粤语是什么意思情感散文怎么读是什么意思书包里出现情书是什么意思情感散文精选念是什么意思甜蜜情书玫瑰姐姐是什么意思唯美情感散文诗是什么意思物理教授情书是什么意思情感语录现实生活夫妻是什么意思结婚情感文案语录图片高清是什么意思情书王杰是什么意思情感散文题目经典名句是什么意思店长情感语录短句温柔文案的简单介绍是什么意思情感散文随笔正能量是什么意思情书怎么制作霸气是什么意思合美情感挽回忽悠人的简单介绍该不该挽回分手的女友男友要怎么挽回包含比翼鸟挽回婚姻靠谱吗的词条我刚参加完婚礼抖音如何找女生搭讪聊天女主穿书挽回前男友文小说挽回前女友送什么歌雪地表白视频大全集下载的简单介绍和高冷的女人聊天怎么搭讪女朋友约会穿搭技巧社交礼仪约会技巧视频教学恋爱推理2攻略 2017流行婚礼红色主题直男恋爱攻略各种结局心理动力短程心理疗法心理动力论心理化合说心理化学心理化学智力心理卫生心理历史学心理历史学分析心理双性化心理反射学心理发展心理发展与教育心理发展动力讨心理发展障碍心理发生论秋季酒店养生餐单:5道营养丰富的凉菜推荐秋季养生黄金法则：5大关键点助你轻松度过秋高气爽秋季养生汤品推荐 - 让你轻松度过秋高气爽的季节秋季养生必吃的5种蔬果及其好处秋季养生必吃的5种野菜秋季养生必备!5种泡澡方法助你轻松度过秋高气爽秋季宝宝养生粥推荐 - 营养均衡助宝宝健康成长秋季酒店养生菜品推荐：5道营养美味的炖菜佳肴秋季养生妙招 - 5个简单有效的养生小技巧秋季养生必备:10道营养美味的秋季养生菜谱秋季养生必吃的5种蔬菜秋季养生必吃的5种时令蔬菜秋季养生必备:5款润肺养生礼品推荐秋季养生饮食攻略：5大养生秘诀助你度过金秋秋季养生必备!5款营养丰富的滋补汤水推荐