Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory
arXiv:2603.03511v1 Announce Type: new Abstract: We aim to learn wavefunctions simulated by time-dependent density functional theory (TDDFT), which can be efficiently represented as linear combination …
Xuan Zhang, Haiyang Yu, Chengdong Wang, Jacob Helwig, Shuiwang Ji, Xiaofeng Qian
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