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- W2058851899 abstract "The Hartree-Fock equations describe atomic and molecular eletronic wave functions, based on the minimization of a functional of the energy. This can be formulated as a constrained global optimization problem involving nonconvex polynomials exhibiting many local minima. The traditional method of solving the Hartree-Fock problem does not provide a guarantee of global optimality and is very sensitive to the initial starting point. In this paper we show how to use a deterministic global optimization method to solve Hartree-Fock systems. The validity of the proposed approach was established by successfully computing the ground-state of the He and Be atoms." @default.
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- W2058851899 date "2007-02-23" @default.
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- W2058851899 title "Solving Hartree-Fock systems with global optimization methods" @default.
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- W2058851899 doi "https://doi.org/10.1209/0295-5075/77/50006" @default.
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