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