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	1.	Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory. [electronic resource] by Ikabata, Yasuhiro Nakai, Hiromi Producer: 20130214 In: The Journal of chemical physics vol. 137 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Interpretation of intermolecular geometric isotope effect in hydrogen bonds: nuclear orbital plus molecular orbital study. [electronic resource] by Ikabata, Yasuhiro Imamura, Yutaka Nakai, Hiromi Producer: 20141105 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Efficient Semi-Numerical Implementation of Relativistic Exact Exchange within the Infinite-Order Two-Component Method Using a Modified Chain-of-Spheres Method. [electronic resource] by Maier, Toni M Ikabata, Yasuhiro Nakai, Hiromi Producer: 20190910 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Restoring the iso-orbital limit of the kinetic energy density in relativistic density functional theory. [electronic resource] by Maier, Toni M Ikabata, Yasuhiro Nakai, Hiromi Producer: 20191112 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Local response dispersion method in periodic systems: Implementation and assessment. [electronic resource] by Ikabata, Yasuhiro Tsukamoto, Yusuke Imamura, Yutaka Nakai, Hiromi Producer: 20150521 In: Journal of computational chemistry vol. 36 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Unveiling Controlling Factors of the S [electronic resource] by Nakai, Hiromi Inamori, Mayu Ikabata, Yasuhiro Wang, Qi Producer: 20181115 In: The journal of physical chemistry. A vol. 122 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Unveiling controlling factors of the S [electronic resource] by Inamori, Mayu Ikabata, Yasuhiro Yoshikawa, Takeshi Nakai, Hiromi Publication details: The Journal of chemical physics Apr 2020 In: The Journal of chemical physics vol. 152 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Spin-flip approach within time-dependent density functional tight-binding method: Theory and applications. [electronic resource] by Inamori, Mayu Yoshikawa, Takeshi Ikabata, Yasuhiro Nishimura, Yoshifumi Nakai, Hiromi Publication details: Journal of computational chemistry Jun 2020 In: Journal of computational chemistry vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Extension and acceleration of relativistic density functional theory based on transformed density operator. [electronic resource] by Ikabata, Yasuhiro Oyama, Takuro Hayami, Masao Seino, Junji Nakai, Hiromi Publication details: The Journal of chemical physics Apr 2019 In: The Journal of chemical physics vol. 150 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density. [electronic resource] by Seino, Junji Kageyama, Ryo Fujinami, Mikito Ikabata, Yasuhiro Nakai, Hiromi Producer: 20180702 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Erratum: "Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density" [J. Chem. Phys. 148, 241705 (2018)]. [electronic resource] by Seino, Junji Kageyama, Ryo Fujinami, Mikito Ikabata, Yasuhiro Nakai, Hiromi Publication details: The Journal of chemical physics 08 2018 In: The Journal of chemical physics vol. 149 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	The divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energies. [electronic resource] by Tsukamoto, Yusuke Ikabata, Yasuhiro Romero, Jonathan Reyes, Andrés Nakai, Hiromi Producer: 20180129 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Machine-learned electron correlation model based on correlation energy density at complete basis set limit. [electronic resource] by Nudejima, Takuro Ikabata, Yasuhiro Seino, Junji Yoshikawa, Takeshi Nakai, Hiromi Publication details: The Journal of chemical physics Jul 2019 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation. [electronic resource] by Ikabata, Yasuhiro Aiba, Risa Iwanade, Toru Nishizawa, Hiroaki Wang, Feng Nakai, Hiromi Producer: 20180611 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals. [electronic resource] by Cho, Daeheum Ko, Kyoung Chul Ikabata, Yasuhiro Wakayama, Kazufumi Yoshikawa, Takeshi Nakai, Hiromi Lee, Jin Yong Producer: 20150521 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. [electronic resource] by Shoji, Yoshiaki Ikabata, Yasuhiro Wang, Qi Nemoto, Daisuke Sakamoto, Atsushi Tanaka, Naoki Seino, Junji Nakai, Hiromi Fukushima, Takanori Producer: 20180503 In: Journal of the American Chemical Society vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	RAQET: Large-scale two-component relativistic quantum chemistry program package. [electronic resource] by Hayami, Masao Seino, Junji Nakajima, Yuya Nakano, Masahiko Ikabata, Yasuhiro Yoshikawa, Takeshi Oyama, Takuro Hiraga, Kenta Hirata, So Nakai, Hiromi Publication details: Journal of computational chemistry Oct 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)