共 50 条
- [1] Investigation of isotope effects with the nuclear-electronic orbital approachJOURNAL OF CHEMICAL PHYSICS, 2005, 123 (06):Reyes, APak, MVHammes-Schiffer, S
- [2] Multiconfigurational nuclear-electronic molecular orbital approach.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U494 - U494Hammes-Schiffer, SWebb, SIordanov, T
- [3] Nuclear-electronic orbital approach: Including nuclear quantum effects in electronic structure calculationsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U2805 - U2805Hammes-Schiffer, Sharon
- [4] Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculationsJOURNAL OF CHEMICAL PHYSICS, 2002, 117 (09): : 4106 - 4118Webb, SPIordanov, THammes-Schiffer, S
- [5] Nuclear-electronic orbital nonorthogonal configuration interaction approachJOURNAL OF CHEMICAL PHYSICS, 2005, 123 (13):Skone, JHPak, MVHammes-Schiffer, S
- [6] Nuclear-Electronic Orbital Method within the Fragment Molecular Orbital ApproachJOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (12): : 5582 - 5588Auer, BenjaminPak, Michael V.Hammes-Schiffer, Sharon
- [7] Nuclear-electronic orbital Ehrenfest dynamicsJOURNAL OF CHEMICAL PHYSICS, 2020, 153 (22):Zhao, LuningWildman, AndrewTao, ZhenSchneider, PatrickHammes-Schiffer, SharonLi, Xiaosong
- [8] PHYS 140-Electron-proton correlation effects in the nuclear-electronic orbital approachABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 234Chakraborty, ArindamHammes-Schiffer, Sharon
- [9] Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculationsJOURNAL OF CHEMICAL PHYSICS, 2022, 156 (22):Xu, JianhangZhou, RuiyiTao, ZhenMalbon, ChristopherBlum, VolkerHammes-Schiffer, SharonKanai, Yosuke
- [10] Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital ApproachJOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (16): : 3205 - 3211Hasecke, LukasMata, Ricardo A.