Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations
329. J. Xu, R. Zhou, Z. Tao, C. Malbon, V. Blum, S. Hammes-Schiffer, and Y. Kanai, “Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations,” J. Chem. Phys. (submitted).
/wp-content/uploads/2017/10/blank-box.png00Jiayun Zhong/wp-content/uploads/2017/10/blank-box.pngJiayun Zhong2022-05-03 21:21:372022-12-27 17:18:14Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations