Spin eigenstate-dependent Hartree-Fock molecular dynamics

Keyphrases

• Molecular Dynamics 100%
• Hartree-Fock 100%
• Spin Eigenstates 100%
• Triplet 50%
• First-principles 50%
• Energy Minimum 50%
• Potential Energy 50%
• Ab Initio Molecular Dynamics 50%
• Singlet 50%
• Dynamical Behavior 50%
• Ground Electronic State 50%
• State Dependence 50%
• Dynamic Scheme 50%
• Excited Electronic States 50%
• Gaussian Basis Sets 50%
• Classical Simulation 50%
• Global Potential 50%

Chemistry

• Molecular Dynamics 100%
• First Principle 50%
• Excited Electronic State 50%
• Potential Energy 50%
• Gaussian Distribution 50%