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Journal of Chemical Theory and Computation|November 21, 2015
Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction SinglesMasayuki Ochi, Shinji TsuneyukiPhysical Review Letters|January 28, 2017
Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function TheoryMasayuki Ochi, Ryotaro Arita, Shinji TsuneyukiThe Journal of Chemical Physics|February 25, 2014
Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulatorsMasayuki Ochi, Keitaro Sodeyama, Shinji TsuneyukiThe Journal of Chemical Physics|March 17, 2016
Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core statesMasayuki Ochi, Yoshiyuki Yamamoto, Ryotaro Arita, et al.The Journal of Chemical Physics|March 10, 2012
Efficient algorithm of the transcorrelated method for periodic systemsMasayuki Ochi, Keitaro Sodeyama, Rei Sakuma, et al.Physical Review Letters|March 24, 2018
Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First PrinciplesTerumasa Tadano, Shinji TsuneyukiJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 31, 2022
Development of the temperature-dependent interatomic potential for molecular dynamics simulation of metal irradiated with an ultrashort pulse laserYuta Tanaka, Shinji TsuneyukiThe Journal of Chemical Physics|September 16, 2005
Effect of through-space electron transfer on infrared spectrum of amorphous seleniumKazuma Nakamura, Shinji TsuneyukiThe Journal of Chemical Physics|October 12, 2004
Excited electronic state calculations by the transcorrelated variational Monte Carlo method: application to a helium atomNaoto Umezawa, Shinji TsuneyukiThe Journal of Chemical Physics|July 24, 2017
Universal two-dimensional characteristics in perovskite-type oxyhydrides ATiO2H (A = Li, Na, K, Rb, Cs)Nobuya Sato, Ryosuke Akashi, Shinji TsuneyukiPageof 9