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480 积分 2021-11-23 加入
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
2个月前
已关闭
Inversion Symmetry of Singular Values and a New Orbital Ordering Method in Tensor Train Approximations for Quantum Chemistry
2个月前
已完结
Unity of Kohn-Sham density-functional theory and reduced-density-matrix-functional theory
2个月前
已完结
Numerical analysis of the complete active-space extended Koopmans’s theorem
2个月前
已完结
Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111)
3个月前
已完结
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
5个月前
已完结
A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing
5个月前
已完结
Coupled cluster-inspired geminal wavefunctions
7个月前
已完结
Learning from multiple quantum chemical methods: Δ-learning, transfer learning, co-kriging, and beyond
8个月前
已关闭
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations
9个月前
已完结
Gemcitabine synergizes with cisplatin to inhibit nasopharyngeal carcinoma cell proliferation and tumor growth
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