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- Car–Parrinello_molecular_dynamics 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.".
- Car–Parrinello_molecular_dynamics wikiPageID "6770335".
- Car–Parrinello_molecular_dynamics wikiPageRevisionID "551615666".
- Car–Parrinello_molecular_dynamics subject Category:Computational_chemistry_software.
- Car–Parrinello_molecular_dynamics subject Category:Computational_physics.
- Car–Parrinello_molecular_dynamics subject Category:Density_functional_theory.
- Car–Parrinello_molecular_dynamics subject Category:Physics_software.
- Car–Parrinello_molecular_dynamics 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.".
- Car–Parrinello_molecular_dynamics label "Car–Parrinello molecular dynamics".
- Car–Parrinello_molecular_dynamics label "Молекулярная динамика Кара — Парринелло".
- Car–Parrinello_molecular_dynamics sameAs Car%E2%80%93Parrinello_molecular_dynamics.
- Car–Parrinello_molecular_dynamics sameAs Q4300351.
- Car–Parrinello_molecular_dynamics sameAs Q4300351.
- Car–Parrinello_molecular_dynamics wasDerivedFrom Car–Parrinello_molecular_dynamics?oldid=551615666.