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Resonating Valence Bond Quantum Monte Carlo: Application to the ozone molecule

Azadi, Sam et al.
arXiv (All) · Papers
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chemical-physicscomputational-physicsquantum-physicsstrongly-correlated-electrons
We study the potential energy surface of the ozone molecule by means of Quantum Monte Carlo simulations based on the resonating valence bond concept. The trial wave function consists of an antisymmetrized geminal power arranged in a single-determinant that is multiplied by a Jastrow correlation fact
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