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2021-11-23 加入
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How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
1天前
已关闭
Inversion Symmetry of Singular Values and a New Orbital Ordering Method in Tensor Train Approximations for Quantum Chemistry
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Unity of Kohn-Sham density-functional theory and reduced-density-matrix-functional theory
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Numerical analysis of the complete active-space extended Koopmans’s theorem
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Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111)
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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
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A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing
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Coupled cluster-inspired geminal wavefunctions
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Learning from multiple quantum chemical methods: Δ-learning, transfer learning, co-kriging, and beyond
6个月前
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Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations
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Antifungal effects of hinokitiol on development of Botrytis cinerea in vitro and in vivo
2年前
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Gemcitabine synergizes with cisplatin to inhibit nasopharyngeal carcinoma cell proliferation and tumor growth
2年前
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