Su, N. Q.; Zhang, I. Y.; Xu, X.*, Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment. J. Comput. Chem. 2013, 34 (20), 1759-1774.
2021-03-04
Su, N. Q.; Zhang, I. Y.; Xu, X.*, Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment. J. Comput. Chem. 2013, 34 (20), 1759-1774.