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Journal of Chemical Physics

Volumn 133, Issue 15, 2010, Pages

Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clusters

(3) Krishtal, Alisa a Senet, Patrick b Van Alsenoy, Christian a

a UNIVERSITY OF ANTWERP (Belgium)

b UNIVERSITÉ DE BOURGOGNE (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM PHOSPHIDE CLUSTERS; ATOMIC CHARGE; CLUSTER SIZES; HETEROGENEOUS CLUSTERS; HETEROPOLAR BONDS; HOMOPOLAR BONDS; POLARIZABILITIES; SIZE-DEPENDENCE;

ALUMINUM; DENSITY FUNCTIONAL THEORY; GROUND STATE; POLARIZATION;

ATOMS;

ALUMINUM DERIVATIVE; ALUMINUM PHOSPHIDE; PHOSPHINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SEMICONDUCTOR;

ALUMINUM COMPOUNDS; MODELS, MOLECULAR; PHOSPHINES; QUANTUM THEORY; SEMICONDUCTORS;

EID: 78049274936 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3494102 Document Type: Article

Times cited : (19)

References (50)

1
- 0037536988
- PRLTAO 0031-9007,. 10.1103/PhysRevLett.76.471
- R. Schäfer, S. Schlecht, J. Woenckhaus, and J. A. Becker, Phys. Rev. Lett. PRLTAO 0031-9007 76, 471 (1996). 10.1103/PhysRevLett.76.471
- (1996) Phys. Rev. Lett. , vol.76 , pp. 471
- Schäfer, R.¹ Schlecht, S.² Woenckhaus, J.³ Becker, J.A.⁴

2
- 0031162503
- PRLTAO 0031-9007,. 10.1103/PhysRevLett.78.4805
- I. Vasiliev, S. Ögüt, and J. R. Chelikowsky, Phys. Rev. Lett. PRLTAO 0031-9007 78, 4805 (1997). 10.1103/PhysRevLett.78.4805
- (1997) Phys. Rev. Lett. , vol.78 , pp. 4805
- Vasiliev, I.¹ Ögüt, S.² Chelikowsky, J.R.³

3
- 0036467025
- Molecular polarizability of semiconductor clusters and nanostructures
- DOI 10.1016/S1386-9477(01)00230-2, PII S1386947701002302
- F. Torrens, Physica E (Amsterdam) PELNFM 1386-9477 13, 67 (2002). 10.1016/S1386-9477(01)00230-2 (Pubitemid 34043574)
- (2002) Physica E: Low-Dimensional Systems and Nanostructures , vol.13 , Issue.1 , pp. 67-71
- Torrens, F.¹

4
- 37349008245
- n P (2 ≤ n ≤ 12) clusters
- DOI 10.1007/s11051-007-9258-y
- L. Guo and H. Wu, J. Nanopart. Res. JNARFA 1388-0764 10, 341 (2008). 10.1007/s11051-007-9258-y (Pubitemid 350292640)
- (2008) Journal of Nanoparticle Research , vol.10 , Issue.2 , pp. 341-351
- Guo, L.¹ Wu, H.²

5
- 40749110714
- Structure, stability, dipole polarizability and differential polarizability in small gallium arsenide clusters from all-electron ab initio and density-functional-theory calculations
- DOI 10.1103/PhysRevA.77.013201
- P. Karamanis and C. Pouchan, Phys. Rev. A PLRAAN 1050-2947 77, 013201 (2008). 10.1103/PhysRevA.77.013201 (Pubitemid 351388948)
- (2008) Physical Review A - Atomic, Molecular, and Optical Physics , vol.77 , Issue.1 , pp. 013201
- Karamanis, P.¹ Pouchan, C.² Maroulis, G.³

6
- 33947411976
- CMPHC2 0301-0104,. 10.1016/j.chemphys.2006.09.038
- P. Karamanis, G. Maroulis, and C. Pouchan, Chem. Phys. CMPHC2 0301-0104 331, 19 (2006). 10.1016/j.chemphys.2006.09.038
- (2006) Chem. Phys. , vol.331 , pp. 19
- Karamanis, P.¹ Maroulis, G.² Pouchan, C.³

7
- 42449150921
- Correlations between bonding, size, and second hyperpolarizability (γ) of small semiconductor clusters: Ab initio study on Aln Pn clusters with n=2, 3, 4, 6, and 9
- DOI 10.1063/1.2902287
- P. Karamanis and J. Leszczynski, J. Chem. Phys. JCPSA6 0021-9606 128, 154323 (2008). 10.1063/1.2902287 (Pubitemid 351574643)
- (2008) Journal of Chemical Physics , vol.128 , Issue.15 , pp. 154323
- Karamanis, P.¹ Leszczynski, J.²

8
- 51349099743
- JCPSA6 0021-9606,. 10.1063/1.2976771
- P. Karamanis, D. Xenides, and J. Leszczynski, J. Chem. Phys. JCPSA6 0021-9606 129, 094708 (2008). 10.1063/1.2976771
- (2008) J. Chem. Phys. , vol.129 , pp. 094708
- Karamanis, P.¹ Xenides, D.² Leszczynski, J.³

9
- 43749097013
- CHPLBC 0009-2614,. 10.1016/j.cplett.2008.03.070
- P. Karamanis, D. Xenides, and J. Leszczynski, Chem. Phys. Lett. CHPLBC 0009-2614 457, 137 (2008). 10.1016/j.cplett.2008.03.070
- (2008) Chem. Phys. Lett. , vol.457 , pp. 137
- Karamanis, P.¹ Xenides, D.² Leszczynski, J.³

10
- 58149149633
- JPCAFH 1089-5639,. 10.1021/jp8071603
- P. Karamanis, C. Pouchan, and J. Leszczynski, J. Phys. Chem. A JPCAFH 1089-5639 112, 13662 (2008). 10.1021/jp8071603
- (2008) J. Phys. Chem. A , vol.112 , pp. 13662
- Karamanis, P.¹ Pouchan, C.² Leszczynski, J.³

11
- 0142135350
- JPCBFK 1089-5647,. 10.1021/jp027082t
- G. Maroulis and C. Pouchan, J. Phys. Chem. B JPCBFK 1089-5647 107, 10683 (2003). 10.1021/jp027082t
- (2003) J. Phys. Chem. B , vol.107 , pp. 10683
- Maroulis, G.¹ Pouchan, C.²

12
- 18444367396
- Shape, polarizability, and metallicity in silicon clusters
- DOI 10.1103/PhysRevA.71.033205, 033205
- K. A. Jackson, M. Yang, I. Chaudhuri, and Th. Frauenheim, Phys. Rev. A PLRAAN 1050-2947 71, 033205 (2005). 10.1103/PhysRevA.71.033205 (Pubitemid 40648499)
- (2005) Physical Review A - Atomic, Molecular, and Optical Physics , vol.71 , Issue.3 , pp. 1-6
- Jackson, K.A.¹ Yang, M.² Chaudhuri, I.³ Frauenheim, T.⁴

13
- 0034247843
- JCPSA6 0021-9606,. 10.1063/1.482033
- P. Calaminici, A. M. Köster, A. Vela, and K. Jug, J. Chem. Phys. JCPSA6 0021-9606 113, 2199 (2000). 10.1063/1.482033
- (2000) J. Chem. Phys. , vol.113 , pp. 2199
- Calaminici, P.¹ Köster, A.M.² Vela, A.³ Jug, K.⁴

14
- 0001149494
- JCPSA6 0021-9606,. 10.1063/1.479222
- P. Calaminici, K. Jug, and A. Köster, J. Chem. Phys. JCPSA6 0021-9606 111, 4613 (1999). 10.1063/1.479222
- (1999) J. Chem. Phys. , vol.111 , pp. 4613
- Calaminici, P.¹ Jug, K.² Köster, A.³

15
- 42449109485
- JCPSA6 0021-9606.
- A. P. Alivisatos, J. Chem. Phys. JCPSA6 0021-9606 100, 12336 (1996).
- (1996) J. Chem. Phys. , vol.100 , pp. 12336
- Alivisatos, A.P.¹

16
- 0007076481
- JCPSA6 0021-9606,. 10.1063/1.460096
- U. Röthlisberger and W. Andreoni, J. Chem. Phys. JCPSA6 0021-9606 94, 8129 (1991). 10.1063/1.460096
- (1991) J. Chem. Phys. , vol.94 , pp. 8129
- Röthlisberger, U.¹ Andreoni, W.²

17
- 4243986352
- PLRBAQ 0556-2805,. 10.1103/PhysRevB.33.4289
- M. Manninen, R. M. Nieminen, and M. J. Puska, Phys. Rev. B PLRBAQ 0556-2805 33, 4289 (1986). 10.1103/PhysRevB.33.4289
- (1986) Phys. Rev. B , vol.33 , pp. 4289
- Manninen, M.¹ Nieminen, R.M.² Puska, M.J.³

18
- 13444262280
- Shells of electrons in metal doped simple metal clusters
- DOI 10.1016/j.cossms.2004.09.002, PII S1359028604000737
- E. Janssens, S. Neukermans, and P. Lievens, Curr. Opin. Solid State Mater. Sci. COSSFX 1359-0286 8, 185 (2004). 10.1016/j.cossms.2004.09.002 (Pubitemid 40206656)
- (2004) Current Opinion in Solid State and Materials Science , vol.8 , Issue.3-4 , pp. 185-193
- Janssens, E.¹ Neukermans, S.² Lievens, P.³

19
- 13844272587
- DFT study of polarizabilities and dipole moments of water clusters
- DOI 10.1002/qua.20308, Proceedings of the Tenth International Conference on the Applications of Density Functional Theory in Chemistry and Physics - Part I of II
- M. Yang, P. Senet, and C. Van Alsenoy, Int. J. Quantum Chem. IJQCB2 0020-7608 101, 535 (2005). 10.1002/qua.20308 (Pubitemid 40253398)
- (2005) International Journal of Quantum Chemistry , vol.101 , Issue.5 , pp. 535-542
- Yang, M.¹ Senet, P.² Van Alsenoy, C.³

20
- 58149162957
- JCTCCE 1549-9618,. 10.1021/ct700325c
- A. Krishtal, P. Senet, and C. Van Alsenoy, J. Chem. Theory Comput. JCTCCE 1549-9618 4, 426 (2008). 10.1021/ct700325c
- (2008) J. Chem. Theory Comput. , vol.4 , pp. 426
- Krishtal, A.¹ Senet, P.² Van Alsenoy, C.³

21
- 0002318719
- PMHABF 1478-6435 ().
- L. Silberstein, Philos. Mag. PMHABF 1478-6435 33 (6), 92 (1917).
- (1917) Philos. Mag. , vol.33 , Issue.6 , pp. 92
- Silberstein, L.¹

22
- 33947091822
- JACSAT 0002-7863,. 10.1021/ja00764a010
- J. Applequist, J. R. Carl, and K. K. Fung, J. Am. Chem. Soc. JACSAT 0002-7863 94, 2952 (1972). 10.1021/ja00764a010
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2952
- Applequist, J.¹ Carl, J.R.² Fung, K.K.³

23
- 0032576160
- Globular protein ultraviolet circular dichroic spectra. Calculation from crystal structures via the dipole interaction model
- DOI 10.1021/ja982509o
- K. A. Bode and J. Applequist, J. Am. Chem. Soc. JACSAT 0002-7863 120, 10938 (1998). 10.1021/ja982509o (Pubitemid 28507440)
- (1998) Journal of the American Chemical Society , vol.120 , Issue.42 , pp. 10938-10946
- Bode, K.A.¹ Applequist, J.²

24
- 33645430596
- JCPSA6 0021-9606,. 10.1021/jp962119t
- K. A. Bode and J. Applequist, J. Chem. Phys. JCPSA6 0021-9606 100, 17820 (1996). 10.1021/jp962119t
- (1996) J. Chem. Phys. , vol.100 , pp. 17820
- Bode, K.A.¹ Applequist, J.²

25
- 0000277792
- JPCHAX 0022-3654,. 10.1021/j100124a039
- J. Applequist, J. Phys. Chem. JPCHAX 0022-3654 97, 6016 (1993). 10.1021/j100124a039
- (1993) J. Phys. Chem. , vol.97 , pp. 6016
- Applequist, J.¹

26
- 0030082850
- Dielectric model for giant fullerenes
- DOI 10.1016/0379-6779(96)80050-6
- L. Henrard, P. Senet, Ph. Lambin, and A. A. Lucas, Synth. Met. SYMEDZ 0379-6779 77, 27 (1996). 10.1016/0379-6779(96)80050-6 (Pubitemid 126341280)
- (1996) Synthetic Metals , vol.77 , Issue.1-3 , pp. 27-30
- Henrard, L.¹ Senet, P.² Lambin, Ph.³ Lucas, A.A.⁴

27
- 78049241420
- in, edited by P. Chattaraj (CRC Press, Taylor & Francis Group, Boca Raton, FL)
- P. Senet, in Chemical Reactivity Theory: A Density Functional View, edited by, P. Chattaraj, (CRC Press, Taylor & Francis Group, Boca Raton, FL, 2009), pp. 331-360.
- (2009) Chemical Reactivity Theory: A Density Functional View , pp. 331-360
- Senet, P.¹

28
- 0001475763
- CHPLBC 0009-2614,. 10.1016/0009-2614(81)85452-8
- A. J. Stone, Chem. Phys. Lett. CHPLBC 0009-2614 83, 233 (1981). 10.1016/0009-2614(81)85452-8
- (1981) Chem. Phys. Lett. , vol.83 , pp. 233
- Stone, A.J.¹

29
- 0000543010
- JCCHDD 0192-8651,. 10.1002/1096-987X(20000730)21 :10<813::AID- JCC1>3.0.CO;2-T
- B. Ma, J. H. Lii, and N. L. Allinger, J. Comput. Chem. JCCHDD 0192-8651 21, 813 (2000). 10.1002/1096-987X(20000730)21:10<813::AID-JCC1>3.0.CO;2-T
- (2000) J. Comput. Chem. , vol.21 , pp. 813
- Ma, B.¹ Lii, J.H.² Allinger, N.L.³

30
- 0035883623
- An ab initio procedure for deriving atomic polarizability tensors in molecules
- DOI 10.1063/1.1394756
- J. R. Maple and C. S. Ewig, J. Chem. Phys. JCPSA6 0021-9606 115, 4981 (2001). 10.1063/1.1394756 (Pubitemid 32969485)
- (2001) Journal of Chemical Physics , vol.115 , Issue.11 , pp. 4981-4988
- Maple, J.R.¹ Ewig, C.S.²

31
- 0035281250
- 2-X derivatives into atomic terms
- DOI 10.1063/1.1343902
- M. E. Zitto, M. C. Caputo, and M. B. Ferraro, J. Chem. Phys. JCPSA6 0021-9606 114, 4053 (2001). 10.1063/1.1343902 (Pubitemid 32255029)
- (2001) Journal of Chemical Physics , vol.114 , Issue.9 , pp. 4053-4057
- Zitto, M.E.¹ Caputo, M.C.² Ferraro, M.B.³ Lazzeretti, P.⁴

32
- 0001553329
- TCHAAM 0040-5744,. 10.1007/BF00549096
- F. L. Hirshfeld, Theor. Chim. Acta TCHAAM 0040-5744 44, 129 (1977). 10.1007/BF00549096
- (1977) Theor. Chim. Acta , vol.44 , pp. 129
- Hirshfeld, F.L.¹

33
- 0001483755
- CHPLBC 0009-2614,. 10.1016/S0009-2614(00)00585-6
- B. Rousseau, A. Peeters, and C. Van Alsenoy, Chem. Phys. Lett. CHPLBC 0009-2614 324, 189 (2000). 10.1016/S0009-2614(00)00585-6
- (2000) Chem. Phys. Lett. , vol.324 , pp. 189
- Rousseau, B.¹ Peeters, A.² Van Alsenoy, C.³

34
- 34247193113
- Critical analysis and extension of the Hirshfeld atoms in molecules
- DOI 10.1063/1.2715563
- P. Bultinck, C. Van Alsenoy, P. W. Ayers, and R. Carbo-Dorca, J. Chem. Phys. JCPSA6 0021-9606 126, 144111 (2007). 10.1063/1.2715563 (Pubitemid 46609992)
- (2007) Journal of Chemical Physics , vol.126 , Issue.14 , pp. 144111
- Bultinck, P.¹ Van Alsenoy, C.² Ayers, P.W.³ Carbo-Dorca, R.⁴

35
- 33746300255
- A Hirshfeld partitioning of polarizabilities of water clusters
- DOI 10.1063/1.2210937
- A. Krishtal, P. Senet, M. Yang, and C. Van Alsenoy, J. Chem. Phys. JCPSA6 0021-9606 125, 034312 (2006). 10.1063/1.2210937 (Pubitemid 44107141)
- (2006) Journal of Chemical Physics , vol.125 , Issue.3 , pp. 034312
- Krishtal, A.¹ Senet, P.² Yang, M.³ Van Alsenoy, C.⁴

36
- 84927514013
- JRMAA8 0075-4102.
- G. F. Voronoi and Z. Reine, J. Reine Angew. Math. JRMAA8 0075-4102 134, 198 (1908).
- (1908) J. Reine Angew. Math. , vol.134 , pp. 198
- Voronoi, G.F.¹ Reine, Z.²

37
- 0004157499
- (Oxford University Press, Oxford).
- R. F. W. Bader, Atoms in Molecules: A Quantum Theory (Oxford University Press, Oxford, 1990).
- (1990) Atoms in Molecules: A Quantum Theory
- Bader, R.F.W.¹

38
- 0043049887
- JCPSA6 0021-9606,. 10.1063/1.454033
- A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 88, 2547 (1988). 10.1063/1.454033
- (1988) J. Chem. Phys. , vol.88 , pp. 2547
- Becke, A.D.¹

39
- 65249180826
- JCTCCE 1549-9618,. 10.1021/ct800394q
- S. Van Damme, P. Bultinck, and S. Fias, J. Chem. Theory Comput. JCTCCE 1549-9618 5, 334 (2009). 10.1021/ct800394q
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 334
- Van Damme, S.¹ Bultinck, P.² Fias, S.³

40
- 58149232391
- JCTCCE 1549-9618,. 10.1021/ct800295h
- A. Krishtal, P. Senet, and C. Van Alsenoy, J. Chem. Theory Comput. JCTCCE 1549-9618 4, 2122 (2008). 10.1021/ct800295h
- (2008) J. Chem. Theory Comput. , vol.4 , pp. 2122
- Krishtal, A.¹ Senet, P.² Van Alsenoy, C.³

41
- 0141704726
- Gaussian, Inc., Pittsburgh, PA.
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
- (2003) GAUSSIAN03, Revision B.05
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

42
- 0002651286
- THEODJ 0166-1280,. 10.1016/0166-1280(93)87148-7
- C. Van Alsenoy and A. Peeters, J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 286, 19 (1993). 10.1016/0166-1280(93)87148-7
- (1993) J. Mol. Struct.: THEOCHEM , vol.286 , pp. 19
- Van Alsenoy, C.¹ Peeters, A.²

43
- 35949007293
- RMPHAT 0034-6861,. 10.1103/RevModPhys.65.611
- W. A. de Heer, Rev. Mod. Phys. RMPHAT 0034-6861 65, 611 (1993). 10.1103/RevModPhys.65.611
- (1993) Rev. Mod. Phys. , vol.65 , pp. 611
- De Heer, W.A.¹

44
- 0026537670
- PNASA6 0027-8424,. 10.1073/pnas.89.3.1036
- M. K. Harbola, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 89, 1036 (1992). 10.1073/pnas.89.3.1036
- (1992) Proc. Natl. Acad. Sci. U.S.A. , vol.89 , pp. 1036
- Harbola, M.K.¹

45
- 36649022540
- in, edited by G. Maroulis (World Scientific, Singapore), 10.1142/9781860948862-0001
- P. Schwerdtfeger, in Atoms, Molecules and Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizability, edited by, G. Maroulis, (World Scientific, Singapore, 2006), pp. 1-32. 10.1142/9781860948862-0001
- (2006) Atoms, Molecules and Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizability , pp. 1-32
- Schwerdtfeger, P.¹

46
- 11244354751
- PLRBAQ 0556-2805,. 10.1103/PhysRevB.50.5744
- M. Seidl and J. P. Perdew, Phys. Rev. B PLRBAQ 0556-2805 50, 5744 (1994). 10.1103/PhysRevB.50.5744
- (1994) Phys. Rev. B , vol.50 , pp. 5744
- Seidl, M.¹ Perdew, J.P.²

47
- 0342726388
- CHPLBC 0009-2614,. 10.1016/0009-2614(92)85440-L
- M. B. Knickelbein, Chem. Phys. Lett. CHPLBC 0009-2614 192, 129 (1992). 10.1016/0009-2614(92)85440-L
- (1992) Chem. Phys. Lett. , vol.192 , pp. 129
- Knickelbein, M.B.¹

48
- 68249128114
- JCPSA6 0021-9606,. 10.1063/1.3185349
- A. Krishtal, P. Senet, and C. Van Alsenoy, J. Chem. Phys. JCPSA6 0021-9606 131, 044312 (2009). 10.1063/1.3185349
- (2009) J. Chem. Phys. , vol.131 , pp. 044312
- Krishtal, A.¹ Senet, P.² Van Alsenoy, C.³

49
- 0038551228
- PRLTAO 0031-9007,. 10.1103/PhysRevLett.84.3827
- S. Kümmel, J. Akola, and M. Manninen, Phys. Rev. Lett. PRLTAO 0031-9007 84, 3827 (2000). 10.1103/PhysRevLett.84.3827
- (2000) Phys. Rev. Lett. , vol.84 , pp. 3827
- Kümmel, S.¹ Akola, J.² Manninen, M.³

50
- 77956573758
- in, edited by G. Maroulis (World Scientific, Singapore), 10.1142/9781860948862-0019
- P. Senet, M. Yang, and K. Van Alsenoy, in Atoms, Molecules and Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizability, edited by, G. Maroulis, (World Scientific, Singapore, 2006), pp. 657-679. 10.1142/9781860948862-0019
- (2006) Atoms, Molecules and Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizability , pp. 657-679
- Senet, P.¹ Yang, M.² Van Alsenoy, K.³

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