Iridescent
发表于 2025-3-21 18:00:26
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侵略者
发表于 2025-3-21 21:39:26
Jin Wang Kim MD, PhD,Joung Ok Lee MDof-art text on Density Functional Theory for graduate studenDensity functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics
倒转
发表于 2025-3-22 03:00:15
M. F. Meek MD, PhD,J. -P. A. Nicolai MD, PhDemistry. We show that local (LSD) and semi-local functionals work because they usefully model the exchange-correlation hole around an average electron, rather than by yielding accurate results at all electron positions. We discuss the system-averaged hole at small interelectronic separations, where
In-Situ
发表于 2025-3-22 08:23:39
G. Rigotti,A. Marchi,M. Galiè,G. Baroni,D. Benati,M. Krampera,A. Pasini,A. Sbarbatiemistry. We show that local (LSD) and semi-local functionals work because they usefully model the exchange-correlation hole around an average electron, rather than by yielding accurate results at all electron positions. We discuss the system-averaged hole at small interelectronic separations, where
Brain-Imaging
发表于 2025-3-22 11:32:23
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ferment
发表于 2025-3-22 16:47:05
C. Novelli,A. Gilbert,P. Raimondi MD, PhDrnal fields. The formalism leads to a set of time-dependent Kohn-Sham equations which, in addition to the external potential, contain a time-dependent Hartree term and a local time-dependent exchange-correlation potential. Rigorous properties and explicit approximations of the latter are discussed i
时代
发表于 2025-3-22 19:18:52
J. A. Lohmeyer,P. Mailänderrnal fields. The formalism leads to a set of time-dependent Kohn-Sham equations which, in addition to the external potential, contain a time-dependent Hartree term and a local time-dependent exchange-correlation potential. Rigorous properties and explicit approximations of the latter are discussed i
STENT
发表于 2025-3-22 22:08:04
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货物
发表于 2025-3-23 01:54:19
A. K. Berger MD, PhD,R. Hierner MD, PhDli metals, is reviewed. The emphasis is on simple models that can be applied to medium-size and large clusters: spherical jellium model (SJM), deformed jellium model (DJM) spherically averaged pseudopotential model (SAPS) and cylindrically averaged pseudopotential model (CAPS). The main characterist
稀释前
发表于 2025-3-23 06:36:41
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