中塚温 (Yutaka Nakatuka) - マイポータル

基本情報

NTChem: A High-Performance Software Package for Quantum Molecular Simulation

Takahito Nakajima, Michio Katouda, Muneaki Kamiya, Yutaka Nakatsuka

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115(5) 349-359 2015年3月査読有り
Computational Schemes in NTChem to Treat Molecular Systems in External Environments

Yutaka Nakatsuka, Takahito Nakajima

INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015) 1702 2015年査読有り
Relativistic diffusion Monte Carlo method: Zeroth-order regular approximation-diffusion Monte Carlo method in a spin-free formalism

Yutaka Nakatsuka, Takahito Nakajima

JOURNAL OF CHEMICAL PHYSICS 137(15) 2012年10月査読有り
Electron-nucleus cusp correction scheme for the relativistic zeroth-order regular approximation quantum Monte Carlo method

Yutaka Nakatsuka, Takahito Nakajima, Kimihiko Hirao

JOURNAL OF CHEMICAL PHYSICS 132(17) 2010年5月査読有り
Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian

Yutaka Nakatsuka, Takahito Nakajima, Maho Nakata, Kimihiko Hirao

JOURNAL OF CHEMICAL PHYSICS 132(5) 2010年2月査読有り
Theoretical Investigations on How to Reproduce d-pi Bonds: Transition-Metal Cation-Benzene Complex Calculations

Takao Tsuneda, Tsuyoshi Hirosawa, Yutaka Nakatsuka, Kimihiko Hirao

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82(11) 1367-1371 2009年11月査読有り