"Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization." ScienceDaily. www.sciencedaily.com / releases / 2022 / 11 / 221129112741.htm ...
Quantum chemistry uses quantum mechanics for the first-principle exploration of chemical systems. In principle, all chemical phenomena can be studied by solving the Schrödinger equation, the ...
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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