Kenichi Nakayama

发表

A non-orthogonal Kohn-Sham method using partially fixed molecular orbitals

K. Hirao, T. Yanai, H. Nakano, 2003 .

A COMPLETE ACTIVE SPACE VALENCE BOND METHOD WITH NONORTHOGONAL ORBITALS

K. Hirao, H. Nakano, Kenichi Nakayama, 1997 .

Complete active space valence bond method applied to chemical reactions 1 Dedicated to Professor Kei

K. Hirao, H. Nakano, Kenichi Nakayama, 1999 .

A CASCI-MRMP method based on Kohn—Sham orbitals

K. Hirao, Y. Nakao, Y. Choe, 2002 .

Theoretical study of the π → π∗ excited states of linear polyene radical cations and dications

K. Hirao, H. Nakano, Y. Kawashima, 1997 .

Different bases for different correlation effects: multireference Møller–Plesset perturbation theory in the extended basis function space

K. Hirao, R. Lindh, Kenichi Nakayama, 1999 .

Synthesis and photoreactivity of α-diketone-type precursors of acenes and their use in organic-device fabrication

H. Nakano, H. Yamada, Mitsuharu Suzuki, 2014 .

Theoretical study of the π→π* excited states of linear polyenes: The energy gap between 11Bu+ and 21Ag− states and their character

Kimihiko Hirao, Haruyuki Nakano, Kenichi Nakayama, 1998 .

Transition state barrier height for the reaction H2CO→H2+CO studied by multireference Mo/ller–Plesset perturbation theory

K. Hirao, M. Dupuis, H. Nakano, 1997 .

Chapter 3 – Complete active space valence bond (CASVB) method and its application to chemical reactions

K. Hirao, H. Nakano, Kazushi Sorakubo, 2002 .

A complete active space valence bond (CASVB) method

Michel Dupuis, Kimihiko Hirao, Haruyuki Nakano, 1996 .