P. Pulay, “2nd and 3rd derivatives of variational energy expressions – application to multi-configurational self-consistent field wave-functions,” J. Chem. Phys., 78 (1983) 5043-51. DOI: 10.1063/1.445372
P. Pulay, “2nd and 3rd derivatives of variational energy expressions – application to multi-configurational self-consistent field wave-functions,” J. Chem. Phys., 78 (1983) 5043-51. DOI: 10.1063/1.445372
