In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy...
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post–Hartree–Fock (post-HF) methods are the set of methods developed to improve on the Hartree–Fock (HF), or self-consistent field (SCF) method. They...
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an equivalent Hartree–Fock calculation. Local DFT methods that do not include Hartree–Fock exchange can scale better than Hartree–Fock.[citation needed]...
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equation. He gave his name to Fock space, the Fock representation and Fock state, and developed the Hartree–Fock method in 1930. He made many subsequent...
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Semi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical...
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Møller–Plesset perturbation theory (category Post-Hartree–Fock methods)
quantum chemistry post-Hartree–Fock ab initio methods in the field of computational chemistry. It improves on the Hartree–Fock method by adding electron correlation...
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ground state energy. The Hartree–Fock method, Density matrix renormalization group, and Ritz method apply the variational method. Suppose we are given a...
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(MCSCF) is a method in quantum chemistry used to generate qualitatively correct reference states of molecules in cases where Hartree–Fock and density functional...
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Unrestricted Hartree–Fock (UHF) theory is the most common molecular orbital method for open shell molecules where the number of electrons of each spin...
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application to the Hartree–Fock equations of atomic physics and the construction of a differential analyser using Meccano. Douglas Hartree was born in Cambridge...
22 KB (2,536 words) - 08:18, 9 April 2024