Hybrid Density Functional Tight Binding (DFTB) - force field method to facilitate large scale electronic structure calculations: application to CO adsorption on nano-sized zirconia.

Publication Information

Title

Japanese:
English:	Hybrid Density Functional Tight Binding (DFTB) - force field method to facilitate large scale electronic structure calculations: application to CO adsorption on nano-sized zirconia.

Author

Japanese:	伊原学, MANZHOS SERGEI, 亀田恵佑, ChenKexin.
English:	Manabu Ihara, Sergei Manzhos, Keisuke Kameda, Kexin Chen.

Language

English

Journal/Book name

Japanese:
English:

Volume, Number, Page

Published date

Mar. 2026

Publisher

Japanese:
English:

Conference name

Japanese:
English:	The 73rd JSAP Spring Meeting

Conference site

Japanese:
English: