Researchers have successfully extended the quantum phase difference estimation algorithm, a general quantum algorithm for the direct calculations of energy gaps, to enable the direct calculation of ...
A highly efficient reconstruction method has been developed for the direct computation of Hamiltonian matrices in the atomic orbital basis from density functional theory calculations originally ...
Evolutionary computation, for example, particle swarm optimization, has impressive achievements in solving complex problems in science and industry; however, an important open problem in evolutionary ...
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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