Osamura81

Y. Osamura, Y. Yamaguchi, and H. F. Schaefer III, “Analytic configuration-interaction (CI) gradient techniques for potential-energy hypersurfaces – a method for openshell molecular wave-functions,” J. Chem. Phys., 75 (1981) 2919-22. DOI: 10.1063/1.442381