DOI: 10.1007/bf01114537. Energy-adjustedab initio pseudopotentials for the second and third row transition elements

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

10.1007/bf01114537

Crossref journal-article

Springer Science and Business Media LLC

Theoretica Chimica Acta (297)

Bibliography

Andrae, D., Hï¿½uï¿½ermann, U., Dolg, M., Stoll, H., & Preuï¿½, H. (1990). Energy-adjustedab initio pseudopotentials for the second and third row transition elements. Theoretica Chimica Acta, 77(2), 123â141.

Authors 5

D. Andrae (first)
U. H�u�ermann (additional)
M. Dolg (additional)
H. Stoll (additional)
H. Preu� (additional)

References 31 Referenced 7,927

Weeks JD, Hazi A, Rice SA (1969) Adv Chem Phys 16:283 (10.1002/9780470143612.ch6) / Adv Chem Phys by JD Weeks (1969)
Bardsley JN (1974) Case Stud At Phys 4:299 / Case Stud At Phys by JN Bardsley (1974)
Dixon RN, Robertson IL (1978) Theoretical chemistry (specialist periodical reports), vol 3. The Chemical Society, London, pp 100?134 / Theoretical chemistry (specialist periodical reports), vol 3 by RN Dixon (1978)
Krauss M, Stevens WJ (1984) Annu Rev Phys Chem 35:357 (10.1146/annurev.pc.35.100184.002041) / Annu Rev Phys Chem by M Krauss (1984)
Christiansen PA, Ermler WC, Pitzer KS (1985) Annu Rev Phys Chem 36:407 (10.1146/annurev.pc.36.100185.002203) / Annu Rev Phys Chem by PA Christiansen (1985)
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 (10.1007/978-94-009-4656-9_6) / Quantum chemistry: The challenge of transition metals and coordination chemistry / NATO ASI Series C by U Wedig (1986)
Dolg M, Wedig U, Stoll H, Preuss H (1987) J Chem Phys 86:2123 (10.1063/1.452110) / J Chem Phys by M Dolg (1987)
Hay PJ, Wadt WR (1985) J Chem Phys 82:270, 299 (10.1063/1.448799) / J Chem Phys by PJ Hay (1985)
Hurley MM, Pacios LF, Christiansen PA, Ross RB, Ermler WC (1986) J Chem Phys 84:6840 (10.1063/1.450689) / J Chem Phys by MM Hurley (1986)
Dolg M. Wedig U, Stoll H, Preuss H (1987) J Chem Phys 86:866 (10.1063/1.452288) / J Chem Phys by M Dolg (1987)
LaJohn LA, Christiansen PA, Ross RB, Atashroo T, Ermler WC (1987) J Chem Phys 87:2812 (10.1063/1.453069) / J Chem Phys by LA LaJohn (1987)
Sakai Y, Miyoshi E, Klobukowski M, Huzinaga S (1987) J Comput Chem 8:226, 256 (10.1002/jcc.540080304) / J Comput Chem by Y Sakai (1987)
Dolg M, Stoll H, Savin A, Preuss H (1989) Theor Chim Acta 75:173 (10.1007/BF00528565) / Theor Chim Acta by M Dolg (1989)
Dolg M, Stoll H, Preuss H (1989) J Chem Phys 90:1730 (10.1063/1.456066) / J Chem Phys by M Dolg (1989)
Schwerdtfeger P, Dolg M, Schwarz WHE, Bowmaker GA, Boyd PWD (1989) J Chem Phys 91:1762 (10.1063/1.457082) / J Chem Phys by P Schwerdtfeger (1989)
Froese Fischer C: Program MCHF77 (1978) Comput Phys Commun 14:145 (10.1016/0010-4655(78)90057-7) / Comput Phys Commun by Fischer C Froese (1978)
Dolg M (1987) Modified version of the program MCHF77 [16]
Wood JH, Boring AM (1978) Phys Rev B18:2701 (10.1103/PhysRevB.18.2701) / Phys Rev by JH Wood (1978)
Cowan RD, Griffin DC (1976) J Opt Soc Am 66:1010 (10.1364/JOSA.66.001010) / J Opt Soc Am by RD Cowan (1976)
Martin RL, Hay PJ (1981) J Chem Phys 75:4539 (10.1063/1.442621) / J Chem Phys by RL Martin (1981)
Pitzer RM, Winter NW (1988) J Phys Chem 92:3061 (10.1021/j100322a011) / J Phys Chem by RM Pitzer (1988)
Grant IP, McKenzie BJ, Norrington PH, Mayers DF, Pyper NC: Program MCDF (1980) Comput Phys Commun 21:207 (10.1016/0010-4655(80)90041-7) / Comput Phys Commun by IP Grant (1980)
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 (10.6028/NBS.CIRC.467v3)
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 (10.1016/0009-2614(79)80287-0) / Chem Phys Lett by P Hafner (1979)
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 (10.1007/978-94-009-4656-9_3) / Quantum chemistry: The challenge of transition metals and coordination chemistry / NATO ASI Series C by M Pelissier (1986)
Hyla-Kryspin I, Demuynck J, Strich A, Benard M (1981) J Chem Phys 75:3954 (10.1063/1.442552) / J Chem Phys by I Hyla-Kryspin (1981)
Chang AHH, Pitzer RM (1989) J Am Chem Soc 111:2500 (10.1021/ja00189a022) / J Am Chem Soc by AHH Chang (1989)
Fraga S, Saxena KMS, Karwowski J (1976) Handbook of atomic data. Physical Sciences Data, vol 5. Elsevier, Amsterdam Oxford New York / Handbook of atomic data. Physical Sciences Data, vol 5 by S Fraga (1976)

Dates

Type	When
Created	20 years, 6 months ago (Feb. 6, 2005, 1:32 a.m.)
Deposited	1 year, 7 months ago (Jan. 22, 2024, 12:51 a.m.)
Indexed	1 day, 1 hour ago (Aug. 22, 2025, 12:46 a.m.)
Issued	35 years, 7 months ago (Jan. 1, 1990)
Published	35 years, 7 months ago (Jan. 1, 1990)
Published Print	35 years, 7 months ago (Jan. 1, 1990)

Funders 0

None

BibTeX

@article{Andrae_1990, title={Energy-adjustedab initio pseudopotentials for the second and third row transition elements}, volume={77}, ISSN={1432-2234}, url={http://dx.doi.org/10.1007/bf01114537}, DOI={10.1007/bf01114537}, number={2}, journal={Theoretica Chimica Acta}, publisher={Springer Science and Business Media LLC}, author={Andrae, D. and H�u�ermann, U. and Dolg, M. and Stoll, H. and Preu�, H.}, year={1990}, pages={123–141} }

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