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16 积分 2024-09-27 加入
Ab initiopseudopotential calculations of infinite monatomic chains of Au, Al, Ag, Pd, Rh, and Ru
15小时前
已完结
First-principles study of metal-semiconductor contacts and quantum transport simulations for 5.1-nm monolayer MoSi2N4 devices
18小时前
已完结
Adsorption of magnesium porphyrin on Au(111)-supported graphene and hexagonal boron nitride monolayers: A first-principles study
19小时前
已完结
Real-space, real-time method for the dielectric function
18天前
已完结
The Pseudopotential Approximation in Electronic Structure Theory
23天前
已完结
Atom‐by‐Atom Fabrication of Monolayer Molybdenum Membranes
3个月前
已完结
Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New Insights
3个月前
已完结
Multi-reference algebraic diagrammatic construction theory for excited states: General formulation and first-order implementation
3个月前
已完结
Dynamics of Dissociative Chemisorption of NH3 on Fe(111) on a Twelve-Dimensional Potential Energy Surface
3个月前
已完结
Progress toward a formal functional theory of strongly correlated systems
3个月前
已完结
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