June 22, 2026 article Open access Orthogonally constrained CASSCF framework: Newton–Raphson orbital optimization and nuclear gradients The Journal of Chemical Physics DOI: 10.1063/5.0324860 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 0 References 3 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Ruthenium-Based Photoactivated Chemotherapy 2023 Journal of the American Chemical Society article Medicine Photodynamic Therapy Research Studies Open access 227 citations A state-averaged orbital-optimized hybrid quantum–classical algorithm for a democratic description of ground and excited states 2020 Quantum Science and Technology article Computer Science Quantum Computing Algorithms and Architecture Open access 76 citations Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver 2022 Journal of Chemical Theory and Computation article Computer Science Quantum Computing Algorithms and Architecture Open access 42 citations 3 results