Doubly excited character or static correlation of the reference state in the controversial 2¹A_g state of trans-butadiene?

Keyphrases

• Butadiene 100%
• Static Correlation 100%
• Reference State 100%
• Polyenes 100%
• Character Correlation 100%
• Small Molecules 33%
• Multiconfigurational 33%
• Chemical Properties 33%
• Spectroscopic Properties 33%
• Double Excitation 33%
• Linear-response Time-dependent Density Functional Theory 33%
• Linear Response Method 33%
• Theoretical Chemistry 33%
• High Computational Cost 33%

Chemistry

• Polyene 100%
• Butadiene 100%
• Ground State 33%
• Time-Dependent Density Functional Theory 33%
• Theoretical Chemistry 33%