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- Q4300351 subject Q6588146.
- Q4300351 subject Q7139603.
- Q4300351 subject Q8373659.
- Q4300351 subject Q8762342.
- Q4300351 abstract "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.".
- Q4300351 wikiPageExternalLink www.cpmd.org.
- Q4300351 wikiPageExternalLink useful-links.
- Q4300351 wikiPageWikiLink Q1048589.
- Q4300351 wikiPageWikiLink Q107414.
- Q4300351 wikiPageWikiLink Q11397.
- Q4300351 wikiPageWikiLink Q122518.
- Q4300351 wikiPageWikiLink Q165498.
- Q4300351 wikiPageWikiLink Q1767080.
- Q4300351 wikiPageWikiLink Q182453.
- Q4300351 wikiPageWikiLink Q2225.
- Q4300351 wikiPageWikiLink Q2329.
- Q4300351 wikiPageWikiLink Q2362761.
- Q4300351 wikiPageWikiLink Q2984997.
- Q4300351 wikiPageWikiLink Q3333599.
- Q4300351 wikiPageWikiLink Q3587637.
- Q4300351 wikiPageWikiLink Q369472.
- Q4300351 wikiPageWikiLink Q37147.
- Q4300351 wikiPageWikiLink Q3834766.
- Q4300351 wikiPageWikiLink Q386283.
- Q4300351 wikiPageWikiLink Q5013592.
- Q4300351 wikiPageWikiLink Q547605.
- Q4300351 wikiPageWikiLink Q5477526.
- Q4300351 wikiPageWikiLink Q633824.
- Q4300351 wikiPageWikiLink Q6588146.
- Q4300351 wikiPageWikiLink Q6639713.
- Q4300351 wikiPageWikiLink Q7139603.
- Q4300351 wikiPageWikiLink Q757568.
- Q4300351 wikiPageWikiLink Q769463.
- Q4300351 wikiPageWikiLink Q8373659.
- Q4300351 wikiPageWikiLink Q8762342.
- Q4300351 wikiPageWikiLink Q901663.
- Q4300351 wikiPageWikiLink Q944.
- Q4300351 comment "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.".
- Q4300351 label "Car–Parrinello molecular dynamics".