Introduction to Computational Quantum …

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Introduction to Computational QuantumChemistry: TheoryDr Andrew GilbertRm 118, Craig Building, RSC3108 Course Lectures 2007IntroductionHartree Fock TheoryConfiguration InteractionLectures1IntroductionBackgrou ndThe wave equationComputing chemistry2Hartree Fock TheoryThe molecular orbital approximationThe self-consistent fieldRestricted and unrestricted HF theory3Configuration InteractionThe correlation energyConfiguration expansion of the wavefunctionIntroductionHartree Fock TheoryConfiguration InteractionLectures4Correlated MethodsConfiguration interactionCoupled-cluster theoryPerturbation theoryComputational Cost5Basis SetsBasis functionsAdditional types of functions6Density Functional TheoryDensity functionalsThe Hohenberg Kohn theoremsDFT modelsIntroductionHartree Fock TheoryConfiguration InteractionLectures7Model ChemistriesModel chemistriesIntroductionHartree Fock TheoryConfiguration InteractionLecture1IntroductionBackgroun dThe wave equationComputing chemistry2Hartree Fock

Introduction to Computational Quantum Chemistry: Theory Dr Andrew Gilbert Rm 118, Craig Building, RSC 3108 Course Lectures 2007

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