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Journal of Computational Chemistry|April 2, 2002
Spectral density calculation by using the Chebyshev expansionTsutomu Ikegami, Suehiro IwataThe Journal of Physical Chemistry. A|June 21, 2007
Theoretical studies of group 1 metal complexes with hydrogen fluoride, M(HF)n, M = Li, Na, and K: a new type of electridesSuehiro IwataPhysical Chemistry Chemical Physics : PCCP|May 2, 2012
Energy analysis of weak electron-donor-acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion termsSuehiro IwataPhysical Chemistry Chemical Physics : PCCP|May 8, 2014
Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion termsSuehiro IwataThe Journal of Chemical Physics|September 15, 2011
Dispersion energy evaluated by using locally projected occupied and excited molecular orbitals for molecular interactionSuehiro IwataThe Journal of Physical Chemistry. A|May 1, 2010
Absolutely local occupied and excited molecular orbitals in the third-order single excitation perturbation theory for molecular interactionSuehiro IwataThe Journal of Physical Chemistry. B|April 16, 2009
Absolutely local excited orbitals in the higher order perturbation expansion for the molecular interactionSuehiro IwataThe Journal of Chemical Physics|July 23, 2004
Perturbation expansion theory corrected from basis set superposition error. I. Locally projected excited orbitals and single excitationsTakeshi Nagata, Suehiro IwataJournal of Computational Chemistry|December 31, 2025
Is Counterpoise Method a Proper Procedure for Evaluating the Dispersion Energy?Suehiro Iwata, Yuki Kano, Hidenori MatsuzawaThe Journal of Physical Chemistry. A|June 29, 2013
Cooperative roles of charge transfer and dispersion terms in hydrogen-bonded networks of (H2O)n, n = 6, 11, and 16Suehiro Iwata, Pradipta Bandyopadhyay, Sotiris S XantheasPageof 2