Falter
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原告
发表于 2025-3-21 23:37:27
Book 2004 evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated b
Infusion
发表于 2025-3-22 00:23:29
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Gullible
发表于 2025-3-22 07:26:19
effects, which may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive 86 configuration mixing. This, in turn, could signal problems for DFT cal- lations978-90-481-6497-4978-1-4020-2117-6
Crepitus
发表于 2025-3-22 10:18:07
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爱哭
发表于 2025-3-22 15:36:54
Studies in Syntax and Semanticshich may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive configuration mixing.. This, in turn, could signal problems for DFT calculations o
爱哭
发表于 2025-3-22 17:30:42
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ATRIA
发表于 2025-3-22 23:53:58
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expound
发表于 2025-3-23 03:13:19
Nanostructure Formation and Relaxation in Metal(100) Homoepitaxial Thin Films: Atomistic and Contin
Medicaid
发表于 2025-3-23 07:56:55
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