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Moto Tarumi, Masato Kobayashi and Hiromi Nakai Accelerating convergence in the antisymmetric product of strongly orthogonal geminals method International Journal of Quantum Chemistry 113

Version of Record online: 6 MAR 2012 | DOI: 10.1002/qua.24045

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The treatment of the electron correlation is one of the biggest issues in quantum chemistry. Antisymmetric product of strongly orthogonal geminals (APSG) method is a novel wavefunction theory that can effectively treat the static electron correlation using two-electron wavefunctions. In this article, a new method is introduced to accelerate the convergence of the germinal wavefunctions, thus dramatically reducing the central processing unit time required by APSG calculations.

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