18 results on '"Hirao, Kimihiko"'
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2. What makes differences between intra- and inter-molecular charge transfer excitations in conjugated long-chained polyene? EOM-CCSD and LC-BOP study
3. Metal-Assisted Proton Transfer in Guanine-Cytosine Pair: An Approach from Quantum Chemistry
4. Evaluation of Nonlinear Optical Properties of Large Conjugated Molecular Systems by Long-Range-Corrected Density Functional Theory
5. Quantum Theory in Terms of Cumulant Variables
6. Relativistic Multireference Perturbation Theory: Complete Active-Space Second-Order Perturbation Theory (CASPT2) With The Four-Component Dirac Hamiltonian
7. A new hybrid DFT functional- Accurate description of response properties and van der Waals interactions
8. Photoelectron Spectra of Re(CO)5 X (X= Cl, Br and I)
9. Recent advances in ab initio, density functional theory, and relativistic electronic structure theory
10. Recent Progress in Relativistic Electronic Structure Theory
11. UTChem — A Program for ab initio Quantum Chemistry
12. A TRANSVERSING PHYSICAL CONNECTION BETWEEN KINETIC, EXCHANGE, AND CORRELATION FUNCTIONALS
13. Complete active space valence bond (CASVB) method and its application to chemical reactions
14. Recent Advances in Multireference Møller-Plesset Method
15. ANALYTIC ENERGY GRADIENTS FOR SECOND-ORDER MULTIREFERENCE PERTURBATION THEORY
16. Electronic Structure Theory
17. What makes differences between intra- and inter-molecular charge transfer excitations in conjugated long-chained polyene? EOM-CCSD and LC-BOP study.
18. Chapter 20 - Recent advances in ab initio, density functional theory, and relativistic electronic structure theory
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