[P1-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[P1-3pm-08] Pursuit of accuracy of the Nuclear-Electronic Orbital Method for the theoretical control of physical properties governed by the quantum wave nature of protons

^○Kohei Motoki¹, Hirotoshi Mori^1,2 (1. The Univ. of Chuo , 2. Institute for Molecular Science)

[Lang.] Japanese

Keywords:Nuclear-Electronic Orbital Method, Protonic state, Electronic state, Accuracy assessment, tunneling splitting