configuration-interaction methods based on the dirac-hartree-fock formalism

  • 1Computational chemistry — is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of… …

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  • 2Density functional theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …

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  • 3Wave function — Not to be confused with the related concept of the Wave equation Some trajectories of a harmonic oscillator (a ball attached to a spring) in classical mechanics (A B) and quantum mechanics (C H). In quantum mechanics (C H), the ball has a wave… …

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