The path of the Gaussian must be set. -l--lumo Perform atomic pair transfer analysis of LUMO. -m--matrix Print MO coefficients, overlap matrix and Fock matrix. -o--output Output csv file on the result ...
Abstract: This paper proposes a new iterative solution method for nonlinear stochastic optimal control problems based on path integral analysis. First, we provide an iteration law for solving a ...
Abstract: An efficient and accurate method, based on the weighted averages (WA) extrapolation technique, is presented for the evaluation of semi-infinite range integrals involving products of Bessel ...
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