Quarterly of Applied Mathematics, Vol. 60, No. 3 (September 2002), pp. 589-599 (11 pages) Alternative expressions for calculating the prolate spheroidal radial ...
"Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization." ScienceDaily. www.sciencedaily.com / releases / 2022 / 11 / 221129112741.htm ...
In recent years, research and development on quantum computers has made considerable progress. Quantum chemical calculations for electronic structures of atoms and molecules are attracting great ...
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