Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species
نویسندگان
چکیده
منابع مشابه
Static Polarizabilities of hydrogen in B-splines Basis
The static polarizability of the 1s, 2p, and 3d states of the hydrogen atom has been calculated using the B-splines basis set method, and the portion of the polarizability without poles has been calculated using the B-splines Galerkin method. Excellent agreement with exact values has been obtained. The current algorithm improves the efficiency and accuracy over the finite perturbation method. I...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2020
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.0c00128