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Publications by Kimihiko Hirao

Multireference Perturbation Theory With Optimized Partitioning. I. Theoretical and Computational Aspects

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2003English

Analytic Energy Gradients for Multiconfigurational Self-Consistent Field Second-Order Quasidegenerate Perturbation Theory (MC-QDPT)

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1998English

An Investigation of Density Functionals: The First-Row Transition Metal Dimer Calculations

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2000English

Theoretical Study of the Excitation Spectra of Five‐membered Ring Compounds: Cyclopentadiene, Furan, and Pyrrole

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1996English

An Analysis of the Through-Bond Interaction Using the Localized Molecular Orbitals. I. Interactions Between Lone-Pair Orbitals in Azines: Pyridazine, Pyrimidine, and Pyrazine

Bulletin of the Chemical Society of Japan
Chemistry
1978English

Quantal Cumulant Dynamics II: An Efficient Time-Reversible Integrator

Chemical Physics Letters
Theoretical ChemistryAstronomyPhysicsPhysical
2007English

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