Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Weeks JD, Hazi A, Rice SA (1969) Adv Chem Phys 16:283

Bardsley JN (1974) Case Stud At Phys 4:299

Dixon RN, Robertson IL (1978) Theoretical chemistry (specialist periodical reports), vol 3. The Chemical Society, London, pp 100?134

Krauss M, Stevens WJ (1984) Annu Rev Phys Chem 35:357

Christiansen PA, Ermler WC, Pitzer KS (1985) Annu Rev Phys Chem 36:407

Wedig U, Dolg M, Stoll H, Preuss H (1986) Energy-adjusted pseudopotentials for transition-metal elements. In: Veillard A (ed) Quantum chemistry: The challenge of transition metals and coordination chemistry. NATO ASI Series C, vol 176. Reidel, Dordrecht, pp 79?89

Dolg M, Wedig U, Stoll H, Preuss H (1987) J Chem Phys 86:2123

Hay PJ, Wadt WR (1985) J Chem Phys 82:270, 299

Hurley MM, Pacios LF, Christiansen PA, Ross RB, Ermler WC (1986) J Chem Phys 84:6840

Dolg M. Wedig U, Stoll H, Preuss H (1987) J Chem Phys 86:866

LaJohn LA, Christiansen PA, Ross RB, Atashroo T, Ermler WC (1987) J Chem Phys 87:2812

Sakai Y, Miyoshi E, Klobukowski M, Huzinaga S (1987) J Comput Chem 8:226, 256

Dolg M, Stoll H, Savin A, Preuss H (1989) Theor Chim Acta 75:173

Dolg M, Stoll H, Preuss H (1989) J Chem Phys 90:1730

Schwerdtfeger P, Dolg M, Schwarz WHE, Bowmaker GA, Boyd PWD (1989) J Chem Phys 91:1762

Froese Fischer C: Program MCHF77 (1978) Comput Phys Commun 14:145

Dolg M (1987) Modified version of the program MCHF77 [16]

Wood JH, Boring AM (1978) Phys Rev B18:2701

Cowan RD, Griffin DC (1976) J Opt Soc Am 66:1010

Martin RL, Hay PJ (1981) J Chem Phys 75:4539

Pitzer RM, Winter NW (1988) J Phys Chem 92:3061

Grant IP, McKenzie BJ, Norrington PH, Mayers DF, Pyper NC: Program MCDF (1980) Comput Phys Commun 21:207

Barthelat JC, Durand Ph: Program PSATOM (1981) Université Paul Sabatier, Toulouse, France

Moore CE (1952, 1958) Atomic energy levels, vol II (Cr-Nb), vol III (Mo-La, Hf-Ac). Circular of the National Bureau of Standards 467, US Department of Commerce

Van Montfort JT, Van Piggelen HU, Aissing G, Nieuwpoort WC: Program LSTERMS (1983) Rijksuniversiteit te Groningen, Netherlands

Dolg M, Schwerdtfeger P (1988) Modified version of the program MCDF [22]

Hafner P, Schwarz WHE (1979) Chem Phys Lett 65:537

Pelissier M, Daudey JP, Malrieu JP, Jeung GH (1986) The electronic structure of transition metal atoms and diatoms through pseudopotential approaches. In: Veillard A (ed) Quantum chemistry: The challenge of transition metals and coordination chemistry. NATO ASI Series C, vol 176. Reidel, Dordrecht, pp 37?51

Hyla-Kryspin I, Demuynck J, Strich A, Benard M (1981) J Chem Phys 75:3954

Chang AHH, Pitzer RM (1989) J Am Chem Soc 111:2500

Fraga S, Saxena KMS, Karwowski J (1976) Handbook of atomic data. Physical Sciences Data, vol 5. Elsevier, Amsterdam Oxford New York