DOI: 10.1021/jp063669m. Koopmans' Theorem for Large Molecular Systems within Density Functional Theory

Koopmans' Theorem for Large Molecular Systems within Density Functional Theory

10.1021/jp063669m

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Luo, J., Xue, Z. Q., Liu, W. M., Wu, J. L., & Yang, Z. Q. (2006). Koopmansâ Theorem for Large Molecular Systems within Density Functional Theory. The Journal of Physical Chemistry A, 110(43), 12005â12009.

Authors 5

Ji Luo (first)
Zeng Quan Xue (additional)
Wei Min Liu (additional)
Jin Lei Wu (additional)
Zhong Qin Yang (additional)

References 27 Referenced 182

10.1016/S0031-8914(34)90011-2 / Physica by Koopmans T. A. (1933)
10.1103/PhysRev.136.B864 / Phys. Rev. by Hohenberg P. (1964)
10.1103/PhysRev.140.A1133 / J. Phys. Rev. by Kohn W. (1965)
10.1103/PhysRevB.18.7165 / Phys. Rev. B by Janak J. F. (1978)
10.1016/S0009-2614(99)00181-5 / Chem. Phys. Lett. by Harris M. (1999)
10.1103/PhysRevLett.49.1691 / Phys. Rev. Lett. by Perdew J. P. (1982)
10.1103/PhysRevB.31.3231 / Phys. Rev. B by Almbladh C. O. (1985)
10.1103/PhysRevB.56.12042 / Phys. Rev. B by Kleinman L. (1997)
10.1103/PhysRevB.56.16021 / Phys. Rev. B by Perdew J. P. (1997)
10.1103/PhysRevB.56.16029 / Phys. Rev. B by Kleinman L. (1997)
10.1103/PhysRevB.45.8894 / Phys. Rev. B by Russier V. (1992)
10.1103/PhysRevB.59.4694 / Phys. Rev. B by Casida M. E. (1999)
10.1103/PhysRevB.60.4545 / Phys. Rev. B by Harbola M. K. (1999)
10.1063/1.2345059 / J. Chem. Phys. by Luo J. (2006)
10.1103/RevModPhys.74.1283 / Rev. Mod. Phys. by Reimann S. M. (2002)
10.1063/1.458452 / J. Chem. Phys. by Delley B. (1990)
10.1063/1.1316015 / J. Chem. Phys. by Delley B. (2000)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1021/ja00008a068 / J. Am. Chem. Soc. by Yannoni C. S. (1991)
10.1103/PhysRevLett.66.1741 / Phys. Rev. Lett. by Weaver J. H. (1991)
10.1103/PhysRevA.52.457 / Phys. Rev. A by Liebsch T. (1995)
10.1142/p080 / Physical Properties of Carbon Nanotubes by Saito R. (1998)
10.1103/PhysRevB.49.5081 / Phys. Rev. B by Rubio A. (1994)
10.1103/PhysRevB.52.10737 / Phys. Rev. B by Iafrate G. J. (1995)
10.1103/PhysRevLett.51.1884 / Phys. Rev. Lett. by Perdew J. P. (1983)
10.1103/PhysRevB.66.115415 / Phys. Rev. B by Luo J. (2002)
10.1007/BF02687339 / Science in China G by Luo J. (2004)

Dates

Type	When
Created	18 years, 10 months ago (Oct. 10, 2006, 6:29 a.m.)
Deposited	2 years, 5 months ago (March 6, 2023, 3:36 a.m.)
Indexed	3 days, 14 hours ago (Aug. 21, 2025, 1:03 p.m.)
Issued	18 years, 10 months ago (Oct. 10, 2006)
Published	18 years, 10 months ago (Oct. 10, 2006)
Published Online	18 years, 10 months ago (Oct. 10, 2006)
Published Print	18 years, 9 months ago (Nov. 1, 2006)

Funders 0

None

BibTeX

@article{Luo_2006, title={Koopmans’ Theorem for Large Molecular Systems within Density Functional Theory}, volume={110}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp063669m}, DOI={10.1021/jp063669m}, number={43}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Luo, Ji and Xue, Zeng Quan and Liu, Wei Min and Wu, Jin Lei and Yang, Zhong Qin}, year={2006}, month=oct, pages={12005–12009} }

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