Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

Keyphrases

• Born-Oppenheimer Approximation 100%
• Wave Function 100%
• Vibrational Spectra 100%
• Relativistic Correction 100%
• Non-Born-Oppenheimer 100%
• Relativistic Effects 50%
• Non-relativistic 50%
• Vibrational Levels 50%
• Nonlinear Parameter 50%
• Fine Structure Constant 50%
• Nonrelativistic Energy 50%
• Perturbation Theory 50%
• Zero Order 50%
• Internuclear Distance 50%
• Explicitly Correlated Gaussians 50%
• One-Center 50%

INIS

• spectra 100%
• corrections 100%
• relativistic range 100%
• born-oppenheimer approximation 100%
• wave functions 50%
• molecules 25%
• energy 25%
• levels 25%
• optimization 25%
• distance 25%
• approximations 25%
• power 25%
• nonlinear problems 25%
• gauss function 25%
• fine structure 25%
• perturbation theory 25%

Chemistry

• Gaussian Distribution 100%
• Born-Oppenheimer Approximation 100%
• Wave Function 100%
• Vibrational Spectra 100%
• Vibrational Level 50%
• Fine-Structure Constant 50%
• k·p perturbation theory 50%
• Perturbation Theory 50%