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Journal of Chemical Physics

Volumn 131, Issue 12, 2009, Pages

Properties of the exact universal functional in multicomponent density functional theory

(3) Chakraborty, Arindam a Pak, Michael V a Hammes Schiffer, Sharon a

a PENNSYLVANIA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC CONNECTION; COORDINATE SCALING; DENSITY FUNCTIONALS; ELECTRON-PROTON CORRELATION; EXTERNAL POTENTIAL; FUNDAMENTAL PROPERTIES; GROUND-STATE DENSITY; INTERACTING SYSTEM; KINETIC ENERGY CORRELATION; MATHEMATICAL INEQUALITY; MATHEMATICAL PROPERTIES; MATHEMATICAL RELATIONSHIP; MULTI-COMPONENT SYSTEMS; MULTICOMPONENTS; NON-INTERACTING SYSTEM; PARTICLE DENSITIES; POTENTIAL ENERGY FUNCTIONALS; PROTON DENSITY; PROTON PAIR; QUANTUM PARTICLES; SCALING PARAMETER; TOTAL ENERGY;

ELECTRONS; POTENTIAL ENERGY; PROTONS;

DENSITY FUNCTIONAL THEORY;

EID: 70349624432 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3236844 Document Type: Article

Times cited : (49)

References (29)

1
- 10644250257
- 10.1103/PhysRev.136.B864
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

2
- 0042113153
- 0096-8250,. 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. 0096-8250 140, A1133 (1965). 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

3
- 0018605084
- Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem
- DOI 10.1073/pnas.76.12.6062
- M. Levy, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 76, 6062 (1979). 10.1073/pnas.76.12.6062 (Pubitemid 10165355)
- (1979) Proceedings of the National Academy of Sciences of the United States of America , vol.76 , Issue.12 , pp. 6062-6065
- Levy, M.¹

4
- 0000150517
- 1050-2947,. 10.1103/PhysRevA.1.969
- L. J. Sham, Phys. Rev. A 1050-2947 1, 969 (1970). 10.1103/PhysRevA.1.969
- (1970) Phys. Rev. A , vol.1 , pp. 969
- Sham, L.J.¹

5
- 0003859151
- 0021-9606,. 10.1063/1.1678599
- J. C. Slater, J. Chem. Phys. 0021-9606 57, 2389 (1972). 10.1063/1.1678599
- (1972) J. Chem. Phys. , vol.57 , pp. 2389
- Slater, J.C.¹

6
- 0001713395
- 1050-2947,. 10.1103/PhysRevA.32.2010
- M. Levy and J. P. Perdew, Phys. Rev. A 1050-2947 32, 2010 (1985). 10.1103/PhysRevA.32.2010
- (1985) Phys. Rev. A , vol.32 , pp. 2010
- Levy, M.¹ Perdew, J.P.²

7
- 4244051761
- 1050-2947,. 10.1103/PhysRevA.43.4637
- M. Levy, Phys. Rev. A 1050-2947 43, 4637 (1991). 10.1103/PhysRevA.43.4637
- (1991) Phys. Rev. A , vol.43 , pp. 4637
- Levy, M.¹

8
- 24144463826
- Relations between coordinate and potential scaling in the high-density limit
- DOI 10.1063/1.1872832, 134108
- T. K. Whittingham and K. Burke, J. Chem. Phys. 0021-9606 122, 134108 (2005). 10.1063/1.1872832 (Pubitemid 41237213)
- (2005) Journal of Chemical Physics , vol.122 , Issue.13 , pp. 1-7
- Whittingham, T.K.¹ Burke, K.²

9
- 40849119810
- 1050-2947,. 10.1103/PhysRevA.77.022504
- L. Calderin and M. J. Stott, Phys. Rev. A 1050-2947 77, 022504 (2008). 10.1103/PhysRevA.77.022504
- (2008) Phys. Rev. A , vol.77 , pp. 022504
- Calderin, L.¹ Stott, M.J.²

10
- 44449158890
- Virial exchange energies from model exact-exchange potentials
- DOI 10.1063/1.2920197
- A. P. Gaiduk and V. N. Staroverov, J. Chem. Phys. 0021-9606 128, 204101 (2008). 10.1063/1.2920197 (Pubitemid 351770611)
- (2008) Journal of Chemical Physics , vol.128 , Issue.20 , pp. 204101
- Gaiduk, A.P.¹ Staroverov, V.N.²

11
- 67649774507
- 0020-7608,. 10.1002/qua.21983
- R. Cuevas-Saavedra and P. W. Ayers, Int. J. Quantum Chem. 0020-7608 109, 1699 (2009). 10.1002/qua.21983
- (2009) Int. J. Quantum Chem. , vol.109 , pp. 1699
- Cuevas-Saavedra, R.¹ Ayers, P.W.²

12
- 65249124070
- 1549-9618,. 10.1021/ct800514z
- A. P. Gaiduk, S. K. Chulkov, and V. N. Staroverov, J. Chem. Theory Comput. 1549-9618 5, 699 (2009). 10.1021/ct800514z
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 699
- Gaiduk, A.P.¹ Chulkov, S.K.² Staroverov, V.N.³

13
- 0001226835
- 0021-9606,. 10.1063/1.481099
- D. Frydel, W. M. Terilla, and K. Burke, J. Chem. Phys. 0021-9606 112, 5292 (2000). 10.1063/1.481099
- (2000) J. Chem. Phys. , vol.112 , pp. 5292
- Frydel, D.¹ Terilla, W.M.² Burke, K.³

14
- 0043270438
- 0021-9606,. 10.1063/1.1579465
- R. J. Magyar, W. Terilla, and K. Burke, J. Chem. Phys. 0021-9606 119, 696 (2003). 10.1063/1.1579465
- (2003) J. Chem. Phys. , vol.119 , pp. 696
- Magyar, R.J.¹ Terilla, W.² Burke, K.³

15
- 18144435636
- 1050-2947,. 10.1103/PhysRevA.69.052510
- F. Zhang and K. Burke, Phys. Rev. A 1050-2947 69, 052510 (2004). 10.1103/PhysRevA.69.052510
- (2004) Phys. Rev. A , vol.69 , pp. 052510
- Zhang, F.¹ Burke, K.²

16
- 44849094856
- 0021-9606,. 10.1063/1.2920196
- A. V. Arbuznikov and M. Kaupp, J. Chem. Phys. 0021-9606 128, 214107 (2008). 10.1063/1.2920196
- (2008) J. Chem. Phys. , vol.128 , pp. 214107
- Arbuznikov, A.V.¹ Kaupp, M.²

17
- 65249121372
- 1549-9618,. 10.1021/ct9000334
- E. K. U. Gross and C. R. Proetto, J. Chem. Theory Comput. 1549-9618 5, 844 (2009). 10.1021/ct9000334
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 844
- Gross, E.K.U.¹ Proetto, C.R.²

18
- 61849164039
- 1050-2947,. 10.1103/PhysRevA.79.022113
- K. Higuchi and M. Higuchi, Phys. Rev. A 1050-2947 79, 022113 (2009). 10.1103/PhysRevA.79.022113
- (2009) Phys. Rev. A , vol.79 , pp. 022113
- Higuchi, K.¹ Higuchi, M.²

19
- 62549163816
- 0021-9606,. 10.1063/1.3082285
- A. M. Teale, S. Coriani, and T. Helgaker, J. Chem. Phys. 0021-9606 130, 104111 (2009). 10.1063/1.3082285
- (2009) J. Chem. Phys. , vol.130 , pp. 104111
- Teale, A.M.¹ Coriani, S.² Helgaker, T.³

20
- 46349092629
- 0031-9007,. 10.1103/PhysRevLett.100.256406
- P. Elliott, D. H. Lee, A. Cangi, and K. Burke, Phys. Rev. Lett. 0031-9007 100, 256406 (2008). 10.1103/PhysRevLett.100.256406
- (2008) Phys. Rev. Lett. , vol.100 , pp. 256406
- Elliott, P.¹ Lee, D.H.² Cangi, A.³ Burke, K.⁴

21
- 36749115313
- 0021-9606,. 10.1063/1.442703
- J. F. Capitani, R. F. Nalewajski, and R. G. Parr, J. Chem. Phys. 0021-9606 76, 568 (1982). 10.1063/1.442703
- (1982) J. Chem. Phys. , vol.76 , pp. 568
- Capitani, J.F.¹ Nalewajski, R.F.² Parr, R.G.³

22
- 0001700765
- 0163-1829,. 10.1103/PhysRevB.57.2146
- N. Gidopoulos, Phys. Rev. B 0163-1829 57, 2146 (1998). 10.1103/PhysRevB.57.2146
- (1998) Phys. Rev. B , vol.57 , pp. 2146
- Gidopoulos, N.¹

23
- 0035794543
- Multicomponent density-functional theory for electrons and nuclei
- DOI 10.1103/PhysRevLett.86.2984
- T. Kreibich and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 86, 2984 (2001). 10.1103/PhysRevLett.86.2984 (Pubitemid 32317848)
- (2001) Physical Review Letters , vol.86 , Issue.14 , pp. 2984-2987
- Kreibich, T.¹ Gross, E.K.U.²

24
- 54049131687
- 0031-9007,. 10.1103/PhysRevLett.101.153001
- A. Chakraborty, M. V. Pak, and S. Hammes-Schiffer, Phys. Rev. Lett. 0031-9007 101, 153001 (2008). 10.1103/PhysRevLett.101.153001
- (2008) Phys. Rev. Lett. , vol.101 , pp. 153001
- Chakraborty, A.¹ Pak, M.V.² Hammes-Schiffer, S.³

25
- 49249083168
- 1050-2947,. 10.1103/PhysRevA.78.022501
- T. Kreibich, R. van Leeuwen, and E. K. U. Gross, Phys. Rev. A 1050-2947 78, 022501 (2008). 10.1103/PhysRevA.78.022501
- (2008) Phys. Rev. A , vol.78 , pp. 022501
- Kreibich, T.¹ Van Leeuwen, R.² Gross, E.K.U.³

26
- 33748530655
- Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework
- DOI 10.1021/jp0634297
- C. Swalina, M. V. Pak, A. Chakraborty, and S. Hammes-Schiffer, J. Phys. Chem. A 1089-5639 110, 9983 (2006). 10.1021/jp0634297 (Pubitemid 44373309)
- (2006) Journal of Physical Chemistry A , vol.110 , Issue.33 , pp. 9983-9987
- Swalina, C.¹ Pak, M.V.² Chakraborty, A.³ Hammes-Schiffer, S.⁴

27
- 46749130891
- 0021-9606,. 10.1063/1.2943144
- A. Chakraborty, M. V. Pak, and S. Hammes-Schiffer, J. Chem. Phys. 0021-9606 129, 014101 (2008). 10.1063/1.2943144
- (2008) J. Chem. Phys. , vol.129 , pp. 014101
- Chakraborty, A.¹ Pak, M.V.² Hammes-Schiffer, S.³

28
- 57149135271
- 0021-9606,. 10.1063/1.2998312
- A. Chakraborty and S. Hammes-Schiffer, J. Chem. Phys. 0021-9606 129, 204101 (2008). 10.1063/1.2998312
- (2008) J. Chem. Phys. , vol.129 , pp. 204101
- Chakraborty, A.¹ Hammes-Schiffer, S.²

29
- 0003569570
- (Oxford Science, New York).
- R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Science, New York, 1989).
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

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