Implementation of explicitly correlated complex Gaussian functions in calculations of molecular rovibrational J=1 states without Born-Oppenheimer approximation

Keyphrases

• Born-Oppenheimer Approximation 100%
• Excited States 100%
• Ro-vibrational 100%
• Explicitly Correlated 100%
• Complex Gaussian 100%
• CECG 100%
• Non-relativistic 50%
• Vibrational States 50%
• Born-Oppenheimer 50%
• Gaussian Function 50%
• Rovibrational States 50%
• One-center 50%

INIS

• implementation 100%
• born-oppenheimer approximation 100%
• gauss function 100%
• ground states 100%
• excited states 100%
• testing 50%
• algorithms 50%
• relativistic range 50%
• particles 50%
• ions 50%
• vibrational states 50%

Chemistry

• Gaussian Distribution 100%
• Ground State 100%
• Born-Oppenheimer Approximation 100%
• Vibrational State 50%
• Excited State 50%
• Excited Rotational State 50%