Development of the geminal-based quantum chemical theory and its application to nanomagnetic devices

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Beyond the current quantum chemical framework that is based on the one-electron wavefunction (orbital), a novel quantum chemical theory that is based on the two-electron wavefunction (geminal) and its computer program have been established. It enabled highly accurate quantum chemical calculations of strongly-correlated systems with few parameters. Furthermore, the divide-and-conquer method, which is a large-scale calculation theory, has been developed to enable highly accurate quantum chemical calculations of real systems.