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4010 积分 2024-08-21 加入
Perspective: Fifty years of density-functional theory in chemical physics
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The density functional formalism, its applications and prospects
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Self-Consistent Equations Including Exchange and Correlation Effects
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Inhomogeneous Electron Gas
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Note on Exchange Phenomena in the Thomas Atom
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The effect of the orbital velocity of the electrons in heavy atoms on their stopping of α-particles
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On the Born-Oppenheimer approximation
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An approach based on genetic algorithms and machine learning coupled for studying alloy and molecular clusters by optimizing quantum energy surfaces
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Combining Deep Learning Neural Networks with Genetic Algorithms to Map Nanocluster Configuration Spaces with Quantum Accuracy at Low Computational Cost
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Effective optimization of atomic decoration in giant and superstructurally ordered crystals with machine learning
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