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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 wikiPageExternalLink www.cpmd.org.
- Car–Parrinello_molecular_dynamics wikiPageExternalLink useful-links.
- Car–Parrinello_molecular_dynamics wikiPageID "6770335".
- Car–Parrinello_molecular_dynamics wikiPageLength "4190".
- Car–Parrinello_molecular_dynamics wikiPageOutDegree "36".
- Car–Parrinello_molecular_dynamics wikiPageRevisionID "682923087".
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Adiabatic_process.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Atomic_nucleus.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Atomic_units.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Born–Oppenheimer_approximation.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink CP2K.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Car–Parrinello_method.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Category:Computational_chemistry_software.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Category:Computational_physics.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Category:Density_functional_theory.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Category:Physics_software.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Chemistry.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Classical_mechanics.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Computational_chemistry.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Core_electron.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Density_functional_theory.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Diagonalizable_matrix.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Electron.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Folding@home.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Fractional_coordinates.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Molecular_dynamics.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Plane_wave.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Pseudopotential.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Quantum_mechanics.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Schrödinger_equation.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Valence_electron.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Verlet_integration.
- Car–Parrinello_molecular_dynamics wikiPageWikiLink Wave_function.
- Car–Parrinello_molecular_dynamics wikiPageWikiLinkText "Car–Parrinello molecular dynamics".
- Car–Parrinello_molecular_dynamics wikiPageUsesTemplate Template:Physical-chemistry-stub.
- Car–Parrinello_molecular_dynamics wikiPageUsesTemplate Template:Quantum-stub.
- Car–Parrinello_molecular_dynamics wikiPageUsesTemplate Template:Reflist.
- Car–Parrinello_molecular_dynamics wikiPageUsesTemplate Template:Science-software-stub.
- Car–Parrinello_molecular_dynamics wikiPageUsesTemplate Template:Theoretical-chem-stub.
- 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 type Algorithm.
- Car–Parrinello_molecular_dynamics type Mechanic.
- Car–Parrinello_molecular_dynamics type Method.
- Car–Parrinello_molecular_dynamics type Physic.
- Car–Parrinello_molecular_dynamics type Redirect.
- 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 sameAs Q4300351.
- Car–Parrinello_molecular_dynamics sameAs m.0gn1tx.
- Car–Parrinello_molecular_dynamics sameAs Молекулярная_динамика_Кара_—_Парринелло.
- Car–Parrinello_molecular_dynamics sameAs Q4300351.
- Car–Parrinello_molecular_dynamics wasDerivedFrom Car–Parrinello_molecular_dynamics?oldid=682923087.
- Car–Parrinello_molecular_dynamics isPrimaryTopicOf Car–Parrinello_molecular_dynamics.