-
1
-
-
0342819025
-
-
NATUAS 0028-0836 10.1038/354056a0
-
S. Ijima, Nature (London) NATUAS 0028-0836 10.1038/354056a0 354, 96 (1991).
-
(1991)
Nature (London)
, vol.354
, pp. 96
-
-
Ijima, S.1
-
3
-
-
33144483993
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.49.5081
-
A. Rubio, J. L. Corkill, and M. L. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.5081 49, 5081 (1994).
-
(1994)
Phys. Rev. B
, vol.49
, pp. 5081
-
-
Rubio, A.1
Corkill, J.L.2
Cohen, M.L.3
-
4
-
-
84952649701
-
-
EULEEJ 0295-5075 10.1209/0295-5075/28/5/007
-
X. Blase, A. Rubio, S. Louie, and M. Cohen, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/28/5/007 28, 335 (1994).
-
(1994)
Europhys. Lett.
, vol.28
, pp. 335
-
-
Blase, X.1
Rubio, A.2
Louie, S.3
Cohen, M.4
-
5
-
-
0029360203
-
-
SCIEAS 0036-8075 10.1126/science.269.5226.966
-
N. Chopra, R. Luyken, V. Crespi, M. Cohen, S. Louie and A. Zettl, Science SCIEAS 0036-8075 10.1126/science.269.5226.966 269, 966 (1995).
-
(1995)
Science
, vol.269
, pp. 966
-
-
Chopra, N.1
Luyken, R.2
Crespi, V.3
Cohen, M.4
Louie, S.5
Zettl, A.6
-
7
-
-
17744396296
-
Suitability of boron-nitride single-walled nanotubes as fluid-flow conduits in nano-valve applications
-
DOI 10.1016/j.apsusc.2004.11.007, PII S0169433204015466
-
M. Grujicica, G. Cao, and W. N. Roy, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/j.apsusc.2004.11.007 246, 149 (2005). (Pubitemid 40574322)
-
(2005)
Applied Surface Science
, vol.246
, Issue.1-3
, pp. 149-158
-
-
Grujicic, M.1
Cao, G.2
Roy, W.N.3
-
8
-
-
27144497250
-
Electron energy loss spectroscopy measurement of the optical gaps on individual boron nitride single-walled and multiwalled nanotubes
-
DOI 10.1103/PhysRevLett.95.127601, 127601
-
R. Arenal, O. Stéphan, M. Kociak, D. Taverna, A. Loiseau, and C. Colliex, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.127601 95, 127601 (2005). (Pubitemid 41505678)
-
(2005)
Physical Review Letters
, vol.95
, Issue.12
, pp. 1-4
-
-
Arenal, R.1
Stephan, O.2
Kociak, M.3
Taverna, D.4
Loiseau, A.5
Colliex, C.6
-
9
-
-
34347353165
-
Cathodoluminescence imaging and spectroscopy on a single multiwall boron nitride nanotube
-
DOI 10.1016/j.cplett.2007.06.001, PII S0009261407007178
-
P. Jaffrennou, F. Donatini, J. Barjon, J. S. Lauret, A. Maguer, B. Attal-Trétout, F. Ducastelle, and A. Loiseau, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2007.06.001 442, 372 (2007). (Pubitemid 47016415)
-
(2007)
Chemical Physics Letters
, vol.442
, Issue.4-6
, pp. 372-375
-
-
Jaffrennou, P.1
Donatini, F.2
Barjon, J.3
Lauret, J.-S.4
Maguer, A.5
Attal-Tretout, B.6
Ducastelle, F.7
Loiseau, A.8
-
10
-
-
36849069405
-
-
PSSBBD 0370-1972 10.1002/pssb.200776109
-
P. Jaffrennou, J. Barjon, J. S. Lauret, A. Maguer, D. Golberg, B. Attal-Trétout, F. Ducastelle, and A. Loiseau, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200776109 244, 4147 (2007).
-
(2007)
Phys. Status Solidi B
, vol.244
, pp. 4147
-
-
Jaffrennou, P.1
Barjon, J.2
Lauret, J.S.3
Maguer, A.4
Golberg, D.5
Attal-Trétout, B.6
Ducastelle, F.7
Loiseau, A.8
-
11
-
-
58149263376
-
-
NNOTER 0957-4484 10.1088/0957-4484/19/45/455605
-
C. H. Lee, J. Wang, V. K. Kayashta, J. Y. Huang, and Y. K. Yap, Nanotechnology NNOTER 0957-4484 10.1088/0957-4484/19/45/455605 19, 455605 (2008).
-
(2008)
Nanotechnology
, vol.19
, pp. 455605
-
-
Lee, C.H.1
Wang, J.2
Kayashta, V.K.3
Huang, J.Y.4
Yap, Y.K.5
-
12
-
-
77949344360
-
-
CMATEX 0897-4756 10.1021/cm903287u
-
C. H. Lee, M. Xie, V. Kayashta, J. Wang, and Y. K. Yap, Chem. Mater. CMATEX 0897-4756 10.1021/cm903287u 22, 1782 (2010).
-
(2010)
Chem. Mater.
, vol.22
, pp. 1782
-
-
Lee, C.H.1
Xie, M.2
Kayashta, V.3
Wang, J.4
Yap, Y.K.5
-
13
-
-
77955297287
-
-
10.1155/2010/163561
-
C. Sun, H. Yu, L. Xu, Q. Ma, and Y. Qian, J. Nanomater. 10.1155/2010/163561 2010, 163561 (2010).
-
(2010)
J. Nanomater.
, vol.2010
, pp. 163561
-
-
Sun, C.1
Yu, H.2
Xu, L.3
Ma, Q.4
Qian, Y.5
-
15
-
-
33745685956
-
-
JACSAT 0002-7863 10.1021/ja057420e
-
S. Hao, G. Zhou, W. Duan, J. Wu, and B. L. Gu, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja057420e 128, 8453 (2006).
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 8453
-
-
Hao, S.1
Zhou, G.2
Duan, W.3
Wu, J.4
Gu, B.L.5
-
16
-
-
34347369543
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.245403
-
G. Y. Guo, S. Ishibashi, T. Tamura, and K. Terakura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.245403 75, 245403 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 245403
-
-
Guo, G.Y.1
Ishibashi, S.2
Tamura, T.3
Terakura, K.4
-
17
-
-
65549105950
-
-
APPLAB 0003-6951 10.1063/1.3129170
-
H.-P. Lan, L.-H. Ye, S. Zhang, and L.-M. Peng, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3129170 94, 183110 (2009).
-
(2009)
Appl. Phys. Lett.
, vol.94
, pp. 183110
-
-
Lan, H.-P.1
Ye, L.-H.2
Zhang, S.3
Peng, L.-M.4
-
19
-
-
0036924402
-
-
ACHRE4 0001-4842 10.1021/ar0101640
-
H. Dai, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar0101640 35, 1035 (2002).
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 1035
-
-
Dai, H.1
-
21
-
-
33947402313
-
Static and optical transverse and longitudinal screened polarizabilities of boron nitride nanotubes
-
DOI 10.1021/jp065644t
-
L. Wang, J. Lu, L. Lai, W. Song, M. Ni, Z. Gao, and W. N. Mei, J. Phys. Chem. C ACHRE4 1932-7447 10.1021/jp065644t 111, 3285 (2007). (Pubitemid 46456222)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.8
, pp. 3285-3289
-
-
Wang, L.1
Lu, J.2
Lai, L.3
Song, W.4
Ni, M.5
Gao, Z.6
Mei, W.N.7
-
22
-
-
0038527530
-
Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains
-
DOI 10.1063/1.477731, PII S002196069830447X
-
B. Champagne, E. A. Perpète, S. J. A. van Gisbergen, E. J. Baerends, J. G. Snijders, C. Soubra-Ghaoui, K. Robins, and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477731 109, 10489 (1998). (Pubitemid 128678486)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.23
, pp. 10489-10498
-
-
Champagne, B.1
Perpete, E.A.2
Van Gisbergen, S.J.A.3
Baerends, E.-J.4
Snijders, J.G.5
Soubra-Ghaoui, C.6
Robins, K.A.7
Kirtman, B.8
-
23
-
-
0005105263
-
-
JCPSA6 0021-9606 10.1063/1.479106
-
B. Champagne, E. A. Perpète, S. J. A. van Gisbergen, E. J. Baerends, J. G. Snijders, C. Soubra-Ghaoui, K. Robins, and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479106 110, 11664 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11664
-
-
Champagne, B.1
Perpète, E.A.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
Snijders, J.G.5
Soubra-Ghaoui, C.6
Robins, K.7
Kirtman, B.8
-
24
-
-
3343023108
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.83.694
-
S. J. A. van Gisbergen, P. R. T. Schipper, O. V. Gritsenko, E. J. Baerends, J. G. Snijders, B. Champagne, and B. Kirtman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.694 83, 694 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 694
-
-
Van Gisbergen, S.J.A.1
Schipper, P.R.T.2
Gritsenko, O.V.3
Baerends, E.J.4
Snijders, J.G.5
Champagne, B.6
Kirtman, B.7
-
25
-
-
61649114049
-
-
JPCAFH 1089-5639 10.1021/jp808234x
-
O. Loboda, R. Zalesny, A. Avramopoulos, J. M. Luis, B. Kirtman, N. Tagmatarchis, H. Reis, and M. G. Papadopoulos, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp808234x 113, 1159 (2008).
-
(2008)
J. Phys. Chem. A
, vol.113
, pp. 1159
-
-
Loboda, O.1
Zalesny, R.2
Avramopoulos, A.3
Luis, J.M.4
Kirtman, B.5
Tagmatarchis, N.6
Reis, H.7
Papadopoulos, M.G.8
-
26
-
-
37649029459
-
Electrical response of molecular chains from density functional theory
-
DOI 10.1103/PhysRevLett.93.213002, 213002
-
S. Kümmel, L. Kronik, and J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.213002 93, 213002 (2004). (Pubitemid 40011377)
-
(2004)
Physical Review Letters
, vol.93
, Issue.21
, pp. 2130021-2130024
-
-
Kummel, S.1
Kronik, L.2
Perdew, J.P.3
-
29
-
-
37749001081
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.045102
-
M. Springborg and B. Kirtman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.045102 77, 045102 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 045102
-
-
Springborg, M.1
Kirtman, B.2
-
30
-
-
77954188511
-
-
JCPSA6 0021-9606 10.1063/1.3447387
-
R. Orlando, V. Lacivita, R. Bast, and K. Ruud, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3447387 132, 244106 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 244106
-
-
Orlando, R.1
Lacivita, V.2
Bast, R.3
Ruud, K.4
-
31
-
-
72049116061
-
-
JCPSA6 0021-9606 10.1063/1.3267861
-
M. Ferrero, B. Civalleri, M. Rérat, R. Orlando, and R. Dovesi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3267861 131, 214704 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 214704
-
-
Ferrero, M.1
Civalleri, B.2
Rérat, M.3
Orlando, R.4
Dovesi, R.5
-
32
-
-
71549135586
-
-
JCPSA6 0021-9606 10.1063/1.3267048
-
V. Lacivita, M. Rérat, B. Kirtman, M. Ferrero, R. Orlando, and R. Dovesi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3267048 131, 204509 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 204509
-
-
Lacivita, V.1
Rérat, M.2
Kirtman, B.3
Ferrero, M.4
Orlando, R.5
Dovesi, R.6
-
34
-
-
28244486404
-
Raman spectra of BN nanotubes: Ab initio and bond-polarizability model calculations
-
DOI 10.1103/PhysRevB.71.241402, 241402
-
L. Wirtz, M. Lazzeri, F. Mauri, and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.241402 71, 241402 (2005). (Pubitemid 41702953)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.24
, pp. 1-4
-
-
Wirtz, L.1
Lazzeri, M.2
Mauri, F.3
Rubio, A.4
-
35
-
-
44449178442
-
The calculation of static polarizabilities of 1-3D periodic compounds. The implementation in the CRYSTAL code
-
DOI 10.1002/jcc.20905
-
M. Ferrero, M. Rérat, R. Orlando, and R. Dovesi, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20905 29, 1450 (2008). (Pubitemid 351757768)
-
(2008)
Journal of Computational Chemistry
, vol.29
, Issue.9
, pp. 1450-1459
-
-
Perrero, M.1
Rerat, M.2
Orlando, R.3
Dovesi, R.4
-
36
-
-
50849097246
-
-
JCCHDD 1742-6588 10.1088/1742-6596/117/1/012023
-
M. Rérat, M. Ferrero, E. Amzallag, I. Baraille, and R. Dovesi, J. Phys.: Conf. Ser. JCCHDD 1742-6588 10.1088/1742-6596/117/1/012023 117, 12023 (2008).
-
(2008)
J. Phys.: Conf. Ser.
, vol.117
, pp. 12023
-
-
Rérat, M.1
Ferrero, M.2
Amzallag, E.3
Baraille, I.4
Dovesi, R.5
-
37
-
-
58149231183
-
-
JCPSA6 0021-9606 10.1063/1.3043366
-
M. Ferrero, M. Rérat, B. Kirtman, and R. Dovesi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3043366 129, 244110 (2008).
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 244110
-
-
Ferrero, M.1
Rérat, M.2
Kirtman, B.3
Dovesi, R.4
-
38
-
-
79961180603
-
-
R. Orlando, R. Bast, K. Ruud, B. Kirtman, and R. Dovesi (unpublished)
-
R. Orlando, R. Bast, K. Ruud, B. Kirtman, and R. Dovesi (unpublished).
-
-
-
-
39
-
-
20144378220
-
CRYSTAL: A computational tool for the ab initio study of the electronic properties of crystals
-
DOI 10.1524/zkri.220.5.571.65065
-
R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V. R. Saunders, and C. M. Zicovich-Wilson, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.571.65065 220, 571 (2005). (Pubitemid 40778243)
-
(2005)
Zeitschrift fur Kristallographie
, vol.220
, Issue.5-6
, pp. 571-573
-
-
Dovesi, R.1
Orlando, R.2
Civalleri, B.3
Roetti, C.4
Saunders, V.R.5
Zicovich-Wilson, C.M.6
-
40
-
-
78649306507
-
-
University of Torino, Torino
-
R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, P. D'Arco, and M. Llunell, CRYSTAL 2009 User's Manual (University of Torino, Torino, 2009).
-
(2009)
CRYSTAL 2009 User's Manual
-
-
Dovesi, R.1
Saunders, V.R.2
Roetti, C.3
Orlando, R.4
Zicovich-Wilson, C.M.5
Pascale, F.6
Civalleri, B.7
Doll, K.8
Harrison, N.M.9
Bush, I.J.10
D'Arco, P.11
Llunell, M.12
-
41
-
-
17044383814
-
12 pyrope. an ab initio study with the CRYSTAL code
-
DOI 10.1021/jp050316z
-
F. Pascale, C. M. Zicovich-Wilson, R. Orlando, C. Roetti, P. Ugliengo, and R. Dovesi, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp050316z 109, 6146 (2005). (Pubitemid 40496825)
-
(2005)
Journal of Physical Chemistry B
, vol.109
, Issue.13
, pp. 6146-6152
-
-
Pascale, F.1
Zicovich-Wilson, C.M.2
Orlando, R.3
Roetti, C.4
Ugliengo, P.5
Dovesi, R.6
-
42
-
-
7544238743
-
3): An ab initio quantum-mechanical calculation
-
DOI 10.1007/s00269-004-0418-7
-
M. Prencipe, F. Pascale, C. Zicovich-Wilson, V. Saunders, R. Orlando, and R. Dovesi, Phys. Chem. Miner. PCMIDU 0342-1791 10.1007/s00269-004-0418-7 31, 559 (2004). (Pubitemid 39454796)
-
(2004)
Physics and Chemistry of Minerals
, vol.31
, Issue.8
, pp. 559-564
-
-
Prencipe, M.1
Pascale, F.2
Zicovich-Wilson, C.M.3
Saunders, V.R.4
Orlando, R.5
Dovesi, R.6
-
43
-
-
27944509051
-
Quantum mechanical calculation of the OH vibrational frequency in crystalline solids
-
DOI 10.1080/00268970500180808
-
S. Tosoni, F. Pascale, P. Ugliengo, R. Orlando, V. R. Saunders, and R. Dovesi, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970500180808 103, 2549 (2005). (Pubitemid 41663259)
-
(2005)
Molecular Physics
, vol.103
, Issue.18
, pp. 2549-2558
-
-
Tosoni, S.1
Pascale, F.2
Ugliengo, P.3
Orlando, R.4
Saunders, V.R.5
Dovesi, R.6
-
44
-
-
0035370697
-
Implementation of analytical Hartree-Fock gradients for periodic systems
-
DOI 10.1016/S0010-4655(01)00172-2, PII S0010465501001722
-
K. Doll, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(01) 00172-2 137, 74 (2001). (Pubitemid 32491716)
-
(2001)
Computer Physics Communications
, vol.137
, Issue.1
, pp. 74-88
-
-
Doll, K.1
-
45
-
-
0035281512
-
Analytical Hartree-Fock gradients for periodic systems
-
DOI 10.1002/1097-461X(2001)82:1<1::AID-QUA1017>3.0.CO;2-W
-
K. Doll, N. M. Harrison, and V. R. Saunders, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/1097-461X(2001)82:1<1::AID-QUA1017>3.0.CO;2-W 82, 1 (2001). (Pubitemid 32228105)
-
(2001)
International Journal of Quantum Chemistry
, vol.82
, Issue.1
, pp. 1-13
-
-
Doll, K.1
Saunders, V.R.2
Harrison, N.M.3
-
46
-
-
0001027957
-
Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code
-
DOI 10.1016/S0009-2614(01)01081-8, PII S0009261401010818
-
B. Civalleri, P. D'Arco, R. Orlando, V. R. Saunders, and R. Dovesi, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(01)01081-8 348, 131 (2001). (Pubitemid 33628573)
-
(2001)
Chemical Physics Letters
, vol.348
, Issue.1-2
, pp. 131-138
-
-
Civalleri, B.1
D'Arco, P.2
Orlando, R.3
Saunders, V.R.4
Dovesi, R.5
-
47
-
-
77958398767
-
-
IJAMDM 0272-4960 10.1093/imamat/6.1.76
-
C. G. Broyden, J. Inst. Math. Appl. IJAMDM 0272-4960 10.1093/imamat/6.1. 76 6, 76 (1970).
-
(1970)
J. Inst. Math. Appl.
, vol.6
, pp. 76
-
-
Broyden, C.G.1
-
48
-
-
0014825610
-
-
CMPJA6 0010-4620 10.1093/comjnl/13.3.317
-
R. Fletcher, Comput. J. CMPJA6 0010-4620 10.1093/comjnl/13.3.317 13, 317 (1970).
-
(1970)
Comput. J.
, vol.13
, pp. 317
-
-
Fletcher, R.1
-
49
-
-
84966251980
-
-
MCMPAF 0025-5718 10.1090/S0025-5718-1970-0258249-6
-
D. Goldfarb, Math. Comput. MCMPAF 0025-5718 10.1090/S0025-5718-1970- 0258249-6 24, 23 (1970).
-
(1970)
Math. Comput.
, vol.24
, pp. 23
-
-
Goldfarb, D.1
-
50
-
-
84968497764
-
-
MCMPAF 0025-5718 10.1090/S0025-5718-1970-0274029-X
-
D. F. Shanno, Math. Comput. MCMPAF 0025-5718 10.1090/S0025-5718-1970- 0274029-X 24, 647 (1970).
-
(1970)
Math. Comput.
, vol.24
, pp. 647
-
-
Shanno, D.F.1
-
51
-
-
12044256522
-
Macroscopic polarization in crystalline dielectrics: The geometric phase approach
-
DOI 10.1103/RevModPhys.66.899
-
R. Resta, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.66.899 66, 809 (1994). (Pubitemid 24821630)
-
(1994)
Reviews of Modern Physics
, vol.66
, Issue.3
, pp. 899
-
-
Resta, R.1
-
52
-
-
25044459461
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.49.5828
-
R. D. King-Smith and D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.5828 49, 5828 (1994).
-
(1994)
Phys. Rev. B
, vol.49
, pp. 5828
-
-
King-Smith, R.D.1
Vanderbilt, D.2
-
53
-
-
3543146679
-
-
CHPLBC 0009-2614 10.1016/0009-2614(90)85588-4
-
B. Kirtman and D. M. Bishop, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(90)85588-4 175, 601 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.175
, pp. 601
-
-
Kirtman, B.1
Bishop, D.M.2
-
54
-
-
41049084486
-
Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing
-
DOI 10.1063/1.2889950
-
B. Kirtman and J. M. Luis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2889950 128, 114101 (2008). (Pubitemid 351423181)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.11
, pp. 114101
-
-
Kirtman, B.1
Luis, J.M.2
-
55
-
-
0000053430
-
On the prediction of band gaps from hybrid functional theory
-
DOI 10.1016/S0009-2614(01)00616-9, PII S0009261401006169
-
J. Muscat, A. Wander, and N. Harrison, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00616-9 342, 397 (2001). (Pubitemid 33628309)
-
(2001)
Chemical Physics Letters
, vol.342
, Issue.3-4
, pp. 397-401
-
-
Muscat, J.1
Wander, A.2
Harrison, N.M.3
-
56
-
-
79961192044
-
-
B. Kirtman (unpublished)
-
B. Kirtman (unpublished).
-
-
-
-
57
-
-
33947330754
-
Efficient vector potential method for calculating electronic and nuclear response of infinite periodic systems to finite electric fields
-
DOI 10.1063/1.2711202
-
M. Springborg and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2711202 126, 104107 (2007). (Pubitemid 46440082)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.10
, pp. 104107
-
-
Springborg, M.1
Kirtman, B.2
|