-
2
-
-
84931507903
-
-
0026-8976. 10.1080/00268976900100941
-
P. Pulay, Mol. Phys. 0026-8976 17, 197 (1969). 10.1080/00268976900100941
-
(1969)
Mol. Phys.
, vol.17
, pp. 197
-
-
Pulay, P.1
-
3
-
-
85048704389
-
-
0065-2385. 10.1002/9780470142943.ch4
-
P. Pulay, Adv. Chem. Phys. 0065-2385 69, 241 (1987). 10.1002/ 9780470142943.ch4
-
(1987)
Adv. Chem. Phys.
, vol.69
, pp. 241
-
-
Pulay, P.1
-
4
-
-
6744222031
-
-
0065-3276. 10.1016/S0065-3276(08)60616-4
-
T. Helgaker and P. Jørgensen, Adv. Quantum Chem. 0065-3276 19, 183 (1988). 10.1016/S0065-3276(08)60616-4
-
(1988)
Adv. Quantum Chem.
, vol.19
, pp. 183
-
-
Helgaker, T.1
Jørgensen, P.2
-
5
-
-
0003418034
-
-
Oxford University Press, New York
-
Y. Yamaguchi, J. D. Goddard, Y. Osamura, and H. Schaefer, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (Oxford University Press, New York, 1994).
-
(1994)
A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory
-
-
Yamaguchi, Y.1
Goddard, J.D.2
Osamura, Y.3
Schaefer, H.4
-
6
-
-
0000347429
-
-
edited by D. Yarkony (World Scientific, Singapore)
-
R. Shepard, in Modern Electronic Structure Theory, edited by, D. Yarkony, (World Scientific, Singapore, 1995), pp. 345-458.
-
(1995)
Modern Electronic Structure Theory
, pp. 345-458
-
-
Shepard, R.1
-
7
-
-
0000355296
-
-
edited by D. Yarkony (World Scientific, Singapore)
-
P. Pulay, in Modern Electronic Structure Theory, edited by, D. Yarkony, (World Scientific, Singapore, 1995), pp. 1191-1240.
-
(1995)
Modern Electronic Structure Theory
, pp. 1191-1240
-
-
Pulay, P.1
-
8
-
-
0004699251
-
-
edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, New York)
-
T. Helgaker, in The Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, New York, 1998), pp. 1157-1169.
-
(1998)
The Encyclopedia of Computational Chemistry
, pp. 1157-1169
-
-
Helgaker, T.1
-
9
-
-
24644496083
-
Chemistry: Simulated quantum computation of molecular energies
-
DOI 10.1126/science.1113479
-
A. Aspuru-Guzik, A. D. Dutoi, P. J. Love, and M. Head-Gordon, Science 0036-8075 309, 1704 (2005). 10.1126/science.1113479 (Pubitemid 41285935)
-
(2005)
Science
, vol.309
, Issue.5741
, pp. 1704-1707
-
-
Aspuru-Guzik, A.1
Dutoi, A.D.2
Love, P.J.3
Head-Gordon, M.4
-
10
-
-
50849106399
-
-
1463-9076. 10.1039/b804804e
-
H. Wang, S. Kais, A. Aspuru-Guzik, and M. R. Hoffmann, Phys. Chem. Chem. Phys. 1463-9076 10, 5388 (2008). 10.1039/b804804e
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 5388
-
-
Wang, H.1
Kais, S.2
Aspuru-Guzik, A.3
Hoffmann, M.R.4
-
11
-
-
57749116053
-
-
0027-8424. 10.1073/pnas.0808245105
-
I. Kassal, S. P. Jordan, P. J. Love, M. Mohseni, and A. Aspuru-Guzik, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 105, 18681 (2008). 10.1073/pnas. 0808245105
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 18681
-
-
Kassal, I.1
Jordan, S.P.2
Love, P.J.3
Mohseni, M.4
Aspuru-Guzik, A.5
-
14
-
-
27144506980
-
Fast quantum algorithm for numerical gradient estimation
-
DOI 10.1103/PhysRevLett.95.050501, 050501
-
S. P. Jordan, Phys. Rev. Lett. 0031-9007 95, 050501 (2005). 10.1103/PhysRevLett.95.050501 (Pubitemid 41506120)
-
(2005)
Physical Review Letters
, vol.95
, Issue.5
, pp. 1-4
-
-
Jordan, S.P.1
-
17
-
-
33750165209
-
The complexity of the local hamiltonian problem
-
DOI 10.1137/S0097539704445226
-
J. Kempe, A. Kitaev, and O. Regev, SIAM J. Comput. 0097-5397 35, 1070 (2006). 10.1137/S0097539704445226 (Pubitemid 44599919)
-
(2006)
SIAM Journal on Computing
, vol.35
, Issue.5
, pp. 1070-1097
-
-
Kempe, J.1
Kitaev, A.2
Regev, O.3
-
18
-
-
72449204975
-
-
A. Y. Kitaev, e-print arXiv:quant-ph/9511026
-
A. Y. Kitaev, e-print arXiv:quant-ph/9511026.
-
-
-
-
19
-
-
0009694291
-
-
0031-9007. 10.1103/PhysRevLett.83.5162
-
D. S. Abrams and S. Lloyd, Phys. Rev. Lett. 0031-9007 83, 5162 (1999). 10.1103/PhysRevLett.83.5162
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 5162
-
-
Abrams, D.S.1
Lloyd, S.2
-
20
-
-
72449211403
-
Towards quantum chemistry on a quantum computer
-
in press
-
B. P. Lanyon, J. D. Whitfield, G. G. Gillet, M. E. Goggin, M. P. Almeida, I. Kassal, J. D. Biamonte, M. Mohseni, B. J. Powell, M. Barbieri, A. Aspuru-Guzik, and A. G. White, " Towards Quantum Chemistry on a Quantum Computer.," Nature Chem. (in press).
-
Nature Chem.
-
-
Lanyon, B.P.1
Whitfield, J.D.2
Gillet, G.G.3
Goggin, M.E.4
Almeida, M.P.5
Kassal, I.6
Biamonte, J.D.7
Mohseni, M.8
Powell, B.J.9
Barbieri, M.10
Aspuru-Guzik, A.11
White, A.G.12
-
21
-
-
1542405949
-
-
0950-1207. 10.1098/rspa.1998.0162
-
C. Zalka, Proc. R. Soc. London, Ser. A 0950-1207 454, 313 (1998). 10.1098/rspa.1998.0162
-
(1998)
Proc. R. Soc. London, Ser. A
, vol.454
, pp. 313
-
-
Zalka, C.1
-
22
-
-
0003170190
-
-
1063-651X. 10.1103/PhysRevE.59.2429
-
D. A. Lidar and H. Wang, Phys. Rev. E 1063-651X 59, 2429 (1999). 10.1103/PhysRevE.59.2429
-
(1999)
Phys. Rev. E
, vol.59
, pp. 2429
-
-
Lidar, D.A.1
Wang, H.2
-
24
-
-
33746893411
-
Limitations of quantum simulation examined by simulating a pairing hamiltonian using nuclear magnetic resonance
-
DOI 10.1103/PhysRevLett.97.050504
-
K. R. Brown, R. J. Clark, and I. L. Chuang, Phys. Rev. Lett. 0031-9007 97, 050504 (2006). 10.1103/PhysRevLett.97.050504 (Pubitemid 44188133)
-
(2006)
Physical Review Letters
, vol.97
, Issue.5
, pp. 050504
-
-
Brown, K.R.1
Clark, R.J.2
Chuang, I.L.3
-
26
-
-
72449210319
-
-
D. Bulger, e-print arXiv:quant-ph/0507193
-
D. Bulger, e-print arXiv:quant-ph/0507193.
-
-
-
-
27
-
-
34547378662
-
-
0022-3239. 10.1007/s10957-007-9168-2
-
D. Bulger, J. Optim. Theory Appl. 0022-3239 133, 289 (2007). 10.1007/s10957-007-9168-2
-
(2007)
J. Optim. Theory Appl.
, vol.133
, pp. 289
-
-
Bulger, D.1
-
29
-
-
72449166793
-
-
J. Zhu, Z. Huang, and S. Kais, e-print arXiv:0906.2375
-
J. Zhu, Z. Huang, and S. Kais, e-print arXiv:0906.2375.
-
-
-
-
30
-
-
72449198819
-
-
C. Dürr and P. Høyer, e-print arXiv:quant-ph/9607014
-
C. Dürr and P. Høyer, e-print arXiv:quant-ph/9607014.
-
-
-
|