Root494
发表于 2025-3-30 12:09:30
Wavefunctions for Large Electronic Systemsointed out by W. Kohn, for electron numbers . where . they become meaningless (exponential wall problem). Nevertheless, despite of the enormous successes of density functional theory, one would also like to develop electronic structure calculations for solids based on wavefunctions. This is possible
crease
发表于 2025-3-30 12:59:04
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Schlemms-Canal
发表于 2025-3-30 20:16:34
Quantifying the Effect of Point and Line Defect Densities on the melting Temperature in the Transitiulator (LAMMPS). The aim of the study was to understand the effects of high pressures and defects on the melting temperature. The simulations were visualised using Visual Molecular Dynamics (VMD). The melting temperature of the perfect crystals were found to be higher than the experimentally observe
phase-2-enzyme
发表于 2025-3-30 23:07:46
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可行
发表于 2025-3-31 04:53:19
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Deject
发表于 2025-3-31 07:21:13
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motivate
发表于 2025-3-31 11:13:43
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forebear
发表于 2025-3-31 15:40:25
Exceeding the Shockley–Queisser Limit Within the Detailed Balance Frameworkes an upper limit for a single junction solar cell that uses an absorber material with a specific band gap. Although methods exist that allow a solar cell to exceed the Shockley–Queisser limit, here we show that it is possible to exceed the Shockley–Queisser limit without considering any of these ad
Devastate
发表于 2025-3-31 20:36:33
Shannon Entropy and Correlation Energy for Electrons in Atomss close to the limit at which the ionization potential goes to zero. We use both Hartree–Fock (HF) and quantum Monte Carlo (QMC) densities and we observe a sharp positive deviation of QMC entropy with respect to the HF corresponding value in approaching the limit. We discuss this behaviour taking in
periodontitis
发表于 2025-3-31 22:10:13
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