Challenging compounds for calculating hyperpolarizabilities: P-quinodimethane derivatives

INIS

• values 100%
• density functional method 66%
• shells 66%
• spin 66%
• levels 33%
• range 33%
• comparative evaluations 33%
• correlations 33%
• excitation 33%
• polarizability 33%
• corrections 33%
• electric fields 33%
• wave functions 33%
• electron correlation 33%
• benchmarks 33%
• functionals 33%

Keyphrases

• Quinodimethanes 100%
• Spin Projection 66%
• Single Excitation 33%
• CCSD Method 33%
• Electric Field Response 33%
• Projection Correction 33%
• Basis Set Effect 33%
• Effect Rule 33%
• Benchmark Values 33%
• Double Excitation 33%

Chemistry

• P-Quinodimethane 100%