Variational reactive scattering calculations: computational optimization strategies

Keyphrases

• Optimization Strategy 100%
• Variational 100%
• Reactive Scattering 100%
• Computational Optimization 100%
• Distortion Potential 100%
• Scattering Calculation 100%
• Gas Phase 50%
• Quantum Mechanical 50%
• Diatoms 50%
• Exchange Reaction 50%
• Computer Code 50%
• Reaction Probability 50%
• Finite Difference 50%
• Computer Time 50%
• Boundary Value Methods 50%
• Variational Principle 50%
• Computational Resources 50%
• Green's Function Solution 50%
• Computer Storage 50%
• Regular Solutions 50%
• First Application 50%
• Distorted Wave 50%
• Scattered Wave 50%

Physics

• Probability Theory 100%
• Finite Difference Methods 100%
• Green's Functions 100%
• Vapor Phase 100%
• Variational Principle 100%

Chemistry

• Reactive Scattering 100%
• Tight Binding Model 50%