DOI: 10.1021/jp900955h. Toward a Wave-Function-Based Treatment of Metals: Extrapolation from Finite Clusters

Toward a Wave-Function-Based Treatment of Metals: Extrapolation from Finite Clusters

10.1021/jp900955h

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Stoll, H. (2009). Toward a Wave-Function-Based Treatment of Metals: Extrapolation from Finite Clusters. The Journal of Physical Chemistry A, 113(43), 11483â11486.

Authors 1

Hermann Stoll (first)

References 32 Referenced 7

10.1007/978-3-642-93385-1 / Hartree−Fock Ab Initio Treatment of Crystalline Systems / Lecture Notes in Chemistry Series 48 by Pisani C. (1988)
10.1063/1.440693 / J. Chem. Phys. by Stollhoff G. (1980)
10.1063/1.465823 / J. Chem. Phys. by Heilingbrunner A. (1993)
10.1103/PhysRevB.46.6700 / Phys. Rev. B by Stoll H. (1992)
10.1103/PhysRevB.55.10282 / Phys. Rev. B by Doll K. (1997)
10.1016/0009-2614(85)85003-X / Chem. Phys. Lett. by Saebø S. (1985)
10.1002/jcc.20975 / J. Comput. Chem. by Pisani C. (2008)
10.1016/j.physrep.2006.01.003 / Phys. Rep. by Paulus B. (2006)
10.1103/PhysRevB.62.5482 / Phys. Rev. B by Roćiszewski K. (2000)
10.1103/RevModPhys.71.1085 / Rev. Mod. Phys. by Goedecker S. (1999)
10.1103/PhysRevB.74.094102 / Phys. Rev. B by Gaston N. (2006)
10.1103/PhysRevB.75.245117 / Phys. Rev. B by Voloshina E. (2007)
{'key': 'ref13/cit13', 'first-page': '012029', 'volume': '117', 'author': 'Voloshina E.', 'year': '2008', 'journal-title': 'J. Phys.: Conf. Ser.'} / J. Phys.: Conf. Ser. by Voloshina E. (2008)
10.1039/b007869g / Phys. Chem. Chem. Phys. by Köhn A. (2001)
10.1039/b613676a / Phys. Chem. Chem. Phys. by Manby F. R. (2006)
10.1039/B608262A / Phys. Chem. Chem. Phys. by Tuma C. (2006)
10.1103/PhysRevLett.98.176103 / Phys. Rev. Lett. by Hu Q.-M. (2007)
{'key': 'ref18/cit18', 'volume-title': 'Introduction to Solid State Physics', 'author': 'Kittel C.', 'year': '1966'} / Introduction to Solid State Physics by Kittel C. (1966)
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
bWoon, D. E.; Peterson, K. A.; Dunning, T. H., Jr. In preparation.
10.1103/PhysRevB.46.6671 / Phys. Rev. B by Perdew J. P. (1992)
Werner, H.J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.;et al.MOLPRO: A Package of Ab Initio Programs, version 2008.1;http://www.molpro.net.
10.1016/0009-2614(92)86093-W / Chem. Phys. Lett. by Hampel C. (1992)
10.1016/0009-2614(94)00815-9 / Chem. Phys. Lett. by Deegan M. J. O. (1994)
Kállay, M.MRCC: A String-Based Quantum Chemical Program Suite;http://www.mrcc.hu.
10.1063/1.1383290 / J. Chem. Phys. by Kállay M. (2001)
{'key': 'ref26/cit26', 'series-title': 'J. Phys. Chem. Ref. Data Monograph no. 9', 'volume-title': 'NIST-JANAF Thermochemical Tables', 'author': 'Chase M. W.', 'year': '1998'} / NIST-JANAF Thermochemical Tables / J. Phys. Chem. Ref. Data Monograph no. 9 by Chase M. W. (1998)
10.1103/PhysRevB.76.014121 / Phys. Rev. B by Hector L. G. (2007)
10.1002/ange.19840960405 / Angew. Chem. by Kutzelnigg W. (1984)
{'key': 'ref29/cit29', 'first-page': '199', 'volume': '23', 'author': 'Lee T. J.', 'year': '1989', 'journal-title': 'Int. J. Quant. Chem.'} / Int. J. Quant. Chem. by Lee T. J. (1989)
10.1103/PhysRevB.75.205123 / Phys. Rev. B by Wedig U. (2007)
Voloshina, E.; Paulus, B.Unpublished work.

Dates

Type	When
Created	16 years, 4 months ago (April 28, 2009, 10:31 a.m.)
Deposited	2 years, 5 months ago (March 5, 2023, 10:47 a.m.)
Indexed	2 years ago (July 30, 2023, 9:12 p.m.)
Issued	16 years, 4 months ago (April 28, 2009)
Published	16 years, 4 months ago (April 28, 2009)
Published Online	16 years, 4 months ago (April 28, 2009)
Published Print	15 years, 10 months ago (Oct. 29, 2009)

Funders 0

None

BibTeX

@article{Stoll_2009, title={Toward a Wave-Function-Based Treatment of Metals: Extrapolation from Finite Clusters}, volume={113}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp900955h}, DOI={10.1021/jp900955h}, number={43}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Stoll, Hermann}, year={2009}, month=apr, pages={11483–11486} }

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