Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization A significant step toward social implementation of chemical quantum calculations on a ...
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 ...
Results that may be inaccessible to you are currently showing.
Hide inaccessible results
Feedback