Analytic Energy Gradients and Spin Multiplicities for Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting Approximation: An Efficient Implementation

✍ Scribed by Bozkaya, Uğur

• Book ID: 126614911
• Publisher: American Chemical Society
• Year: 2014
• Tongue: English
• Weight: 606 KB
• Volume: 10
• Category: Article
• ISSN: 1549-9618
• DOI: 10.1021/ct500634s