共 50 条
- [22] Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (20): : 4522 - 4526
- [24] Computing nuclear quantum effects with the nuclear electronic orbital approach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
- [25] Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (14): : 3497 - 3502
- [26] Nuclear-electronic orbital nonorthogonal configuration interaction approach JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (13):
- [27] Multiconfigurational nuclear-electronic molecular orbital approach. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U494 - U494
- [29] Nuclear-Electronic Orbital Method within the Fragment Molecular Orbital Approach JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (12): : 5582 - 5588
- [30] Describing proton transfer modes in shared proton systems with constrained nuclear-electronic orbital methods JOURNAL OF CHEMICAL PHYSICS, 2023, 158 (23):