(ScienceDaily) For the first time, a new quantum algorithm has been implemented for quantum chemical calculations on quantum computers; giving exact solutions of Schroedinger Equations for atoms and molecules. The solving of the Schroedinger Equation (SE) of atoms and molecules is one of the ultimate goals in chemistry, physics and their related fields. SE is “First Principle” of non-relativistic quantum mechanics, whose solutions an predict their physicochemical properties and chemical reactions.
Researchers from Osaka City University (OCU) in Japan, Dr. K. Sugisaki, Profs. K. Sato and T. Takui and coworkers have found a quantum algorithm enabling us to perform full configuration interaction (Full-CI) calculations for any open shell molecules without exponential/combinatorial explosion.
The OCU group said, “This is the first example of practical quantum algorithms, which make quantum chemical calculations realizable on quantum computers equipped with a sizable number of qubits. These implementations empower practical applications of quantum chemical calculations on quantum computers in many important fields.”