DOI: 10.1007/bf02394557. Individualized configuration selection in CI calculations with subsequent energy extrapolation

Individualized configuration selection in CI calculations with subsequent energy extrapolation

10.1007/bf02394557

Crossref journal-article

Springer Science and Business Media LLC

Theoretica Chimica Acta (297)

Bibliography

Buenker, R. J., & Peyerimhoff, S. D. (1974). Individualized configuration selection in CI calculations with subsequent energy extrapolation. Theoretica Chimica Acta, 35(1), 33â58.

Authors 2

Robert J. Buenker (first)
Sigrid D. Peyerimhoff (additional)

References 18 Referenced 1,239

Rauk,A., Clementi,E., Allen,L.C.: J. Chem. Phys.52, 4133 (1970) (10.1063/1.1673621) / J. Chem. Phys. by A. Rauk (1970)
Gershgorn,Z., Shavitt,I.: Int. J. Quantum Chem.2, 751 (1968) (10.1002/qua.560020603) / Int. J. Quantum Chem. by Z. Gershgorn (1968)
Whitten,J.L., Hackmeyer,M.: J. Chem. Phys.51, 5584 (1969) (10.1063/1.1671985) / J. Chem. Phys. by J.L. Whitten (1969)
Hackmeyer,M., Whitten,J.L.: J. Chem. Phys.54, 3739 (1971) (10.1063/1.1675423) / J. Chem. Phys. by M. Hackmeyer (1971)
For example: Bender,CF., Davidson, E.R.: Phys. Rev.183, 23 (1969) (10.1103/PhysRev.183.23) / Phys. Rev. by CF. Bender (1969)
Langhoff, S. R., Elbert,S.T., Davidson,E.R.: Configuration interaction study of the spin dipole-dipole parameters for formaldehyde. In press
Peyerimhoff,S.D., Buenker,R.J.: Chem. Phys. Letters16, 235 (1972) (10.1016/0009-2614(72)80263-X) / Chem. Phys. Letters by S.D. Peyerimhoff (1972)
Bunge,A.: J. Chem. Phys.53, 20 (1970); see also McLean,A.D., Liu,B.: J. Chem. Phys.58, 1066 (1973) (10.1063/1.1673766) / J. Chem. Phys. by A. Bunge (1970)
Bunge,A.: Phys. Rev.168, 92 (1968) (10.1103/PhysRev.168.92) / Phys. Rev. by A. Bunge (1968)
Shavitt,I.: J. Compt. Phys.6, 124 (1970) (10.1016/0021-9991(70)90010-0) / J. Compt. Phys. by I. Shavitt (1970)
Nesbet,R.K.: J. Chem. Phys.43, 311 (1965) (10.1063/1.1696477) / J. Chem. Phys. by R.K. Nesbet (1965)
Bruna,P., Peyerimhoff,S.D., Buenker,R.J., Rosmus,P.: Non-empirical SCF and CI study of the ground and excited states of thioformaldehyde. Chemical Physics (In press)
Bender,C.F., Davidson,E.R.: J. Chem. Phys.49, 4222 (1968) (10.1063/1.1670742) / J. Chem. Phys. by C.F. Bender (1968)
Bender,C.F.., Davidson,E.R.: J. Phys. Chem.70, 2675 (1966) (10.1021/j100880a036) / J. Phys. Chem. by C.F. Bender (1966)
For example: Schaefer III,H.F.: J. Chem. Phys.54, 2207 (1971) (10.1063/1.1675154) / J. Chem. Phys. by H.F. Schaefer III (1971)
SchaeferIII, H.F.: The electronic structure of atoms and molecules: A survey of rigorous quantum mechanical results. Reading, Pa.: Addison Wesley 1972 / The electronic structure of atoms and molecules: A survey of rigorous quantum mechanical results by H.F. Schaefer III (1972)
Lie,G.C., Hinze,J., Liu,B.: J. Chem. Phys.59, 1872 (1973) (10.1063/1.1680272) / J. Chem. Phys. by G.C. Lie (1973)
Hay,P.G.: J. Chem. Phys.59, 2468 (1973) (10.1063/1.1680359) / J. Chem. Phys. by P.G. Hay (1973)

Dates

Type	When
Created	19 years, 4 months ago (April 10, 2006, 2:58 p.m.)
Deposited	6 years, 3 months ago (May 17, 2019, 8:24 a.m.)
Indexed	3 days, 4 hours ago (Aug. 19, 2025, 6:43 a.m.)
Issued	51 years ago (Aug. 1, 1974)
Published	51 years ago (Aug. 1, 1974)
Published Print	51 years ago (Aug. 1, 1974)

Funders 0

None

BibTeX

@article{Buenker_1974, title={Individualized configuration selection in CI calculations with subsequent energy extrapolation}, volume={35}, ISSN={1432-2234}, url={http://dx.doi.org/10.1007/bf02394557}, DOI={10.1007/bf02394557}, number={1}, journal={Theoretica Chimica Acta}, publisher={Springer Science and Business Media LLC}, author={Buenker, Robert J. and Peyerimhoff, Sigrid D.}, year={1974}, month=aug, pages={33–58} }

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