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4560 积分 2024-05-04 加入
Optimizing Conical Intersections without Explicit Use of Non-Adiabatic Couplings
1天前
待确认
Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization
1天前
待确认
Quasi-Diabatic Representation for Nonadiabatic Dynamics Propagation
1天前
待确认
Updated Branching Plane for Finding Conical Intersections without Coupling Derivative Vectors
1天前
待确认
Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
4天前
已完结
Ground states of molecules. 38. The MNDO method. Approximations and parameters
4天前
已完结
Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative Study
8天前
已完结
Chemical Programming of Solubilizing, Nonequilibrium Active Droplets
1个月前
已完结
Pure State v-Representability of Density Matrix Embedding Theory
1个月前
已完结
Energy-weighted density matrix embedding of open correlated chemical fragments
1个月前
已完结
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