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Density functional theoryMolecular orbital theoryForce fieldParticle-in-cellFree energy perturbationMolecular hamiltonianNuclear shell modelInteratomic potentialMolecular orbitalCorrelation energyRandom phase approximationMolecular modelingMagnetic dipole transitionMolecular dynamicsElectronic structureDynamical mean-field theoryRelativistic quantum chemistrySmoothed-particle hydrodynamicsElectron crystallographyAtomic orbitalParallel temperingQuantum chemistryExcitation functionEnergy modelingComputational materials sciencePotential energy surfaceElectron configurationFree electron modelKinetic monte carloQuantum mechanicsElectron opticsRotating wave approximationMolecular modellingElectron affinityPotts modelPseudopotentialEigenmode expansionPeierls substitutionMolecular mechanicsProjector augmented wave methodElectronic circuit simulationBall-and-stick modelAtomic absorption spectroscopyGw approximationAtomic physicsIntroduction to quantum mechanicsChemical physicsAtomic form factorElectron capture detectorAdiabatic quantum computationAtom economyClassical electromagnetismLattice boltzmann methodsHartree atomic unitsDirect simulation monte carloEffective medium approximationsElectron shellElectronic correlationElectron-transfer dissociationMie potentialResonating valence bond theoryMulti-compartment modelRigorous coupled-wave analysisChemical kineticsElectron ionizationZeeman energyQuantum hydrodynamicsAtomic coherenceMaterial point methodElectron wave functionStandard modelElectronic specific heatElectron cyclotron resonanceQuantum electrodynamicsDissipative particle dynamicsFermi liquid theoryElectron paramagnetic resonanceAtomic emission spectroscopyQuantum electronicsCondensed matter physicsDirac equationElectron densityEinstein coefficientsApplications of quantum mechanicsCoulomb energyElastic scatteringCoupled mode theoryRotational spectroscopyField-emission microscopySecondary ion mass spectrometryQuasi-harmonic approximationOrbitalX-ray diffractionBloch's theoremHooke's atomDiode modellingTime-resolved spectroscopyBeam propagation methodMolecular electronicsElectromagnetism