Journal of Chemical Physics
The Journal of Chemical Physics
   
 
 
 
Previous Article
Exact ionization potentials from wavefunction asymptotics: The extended Koopmans' theorem, revisited
A simple explanation is given for the exactness of the extended Koopmans' theorem, (EKT) for computing the removal energy of any many-electron system to the lowest-energy ground state ion of a given s...
Next Article
Band structures built by the elongation method
A recently proposed approach for extracting band structures from finite-cluster calculations is improved so that (avoided) band crossings can be handled and the problems related to so-called doublings...

Preparation of many-body states for quantum simulation

J. Chem. Phys. 130, 194105 (2009); doi:10.1063/1.3115177

Published 18 May 2009

You are not logged in to this journal. Log in

Nicholas J. Ward, Ivan Kassal, and Alán Aspuru-Guzik
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA
While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum states on a lattice in real space. In particular, the present algorithm is able to prepare general pure and mixed many-particle states of any number of particles. It relies on a procedure for converting from a second-quantized state to its first-quantized counterpart. The algorithm is efficient in that it operates in time that is polynomial in all the essential descriptors of the system, the number of particles, the resolution of the lattice, and the inverse of the maximum final error. This scaling holds under the assumption that the wave function to be prepared is bounded or its indefinite integral is known and that the Fock operator of the system is efficiently simulatable. ©2009 American Institute of Physics
History: Received 19 December 2008; accepted 16 March 2009; published 18 May 2009
Permalink: http://link.aip.org/link/?JCPSA6/130/194105/1
BUY THIS ARTICLE   (US$28)
Download HTML Download Sectioned HTML Download PDF (148 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 03.67.Lx
    Quantum computation architectures and implementations
  • 03.67.Ac
    Quantum algorithms, protocols and simulations
  • 03.65.Fd
    Algebraic methods in quantum mechanics
  • 02.10.De
    Algebraic structures and number theory
  • 05.50.+q
    Lattice theory and statistics
  • YEAR: 2009

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (37)

For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. R. Feynman, Int. J. Theor. Phys. 21, 467 (1982).
  2. S. Lloyd, Science 273, 1073 (1996).
  3. S. Wiesner, e-print arXiv:quant-ph/9603028, 1996.
  4. C. Zalka, Proc. R. Soc. London, Ser. A 454, 313 (1998).
  5. D. A. Lidar and H. Wang, Phys. Rev. E 59, 2429 (1999).
  6. A. Aspuru-Guzik, A. D. Dutoi, P. J. Love, and M. Head-Gordon, Science 309, 1704 (2005).
  7. H. Wang, S. Kais, A. Aspuru-Guzik, and M. R. Hoffmann, Phys. Chem. Chem. Phys. 10, 5388 (2008).
  8. I. Kassal, S. P. Jordan, P. J. Love, M. Mohseni, and A. Aspuru-Guzik, Proc. Natl. Acad. Sci. U.S.A. 105, 18681 (2008).
  9. B. P. Lanyon, J. D. Whitfield, G. G. Gillet, M. E. Goggin, M. P. Almeida, I. Kassal, M. Mohseni, J. D. Biamonte, B. J. Powell, M. Barbieri et al. (submitted).
  10. D. Aharonov and A. Ta-Shma, SIAM J. Comput. 37, 47 (2007).
  11. M. A. Nielsen and I. L. Chuang, Quantum Computation and Quantum Information (Cambridge University Press, Cambridge, 2000).
  12. M. Möttönen, J. J. Vartiainen, V. Bergholm, and M. M. Salomaa, Quantum Inf. Comput. 5, 467 (2005).
  13. V. Bergholm, J. J. Vartiainen, M. Möttönen, and M. M. Salomaa, Phys. Rev. A 71, 052330 (2005).
  14. H. Wang, S. Ashhab, and F. Nori, e-print arXiv:0902.1419, 2009.
  15. A. Szabo and N. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover, New, York, 1996).
  16. D. W. Berry, G. Ahokas, R. Cleve, and B. C. Sanders, Commun. Math. Phys. 270, 359 (2007).
  17. A. Childs, Ph.D. thesis, Massachusetts Institute of Technology, 2004.
  18. L. Grover and T. Rudolph, e-print arXiv:quant-ph/0208112, 2002.
  19. P. Kaye and M. Mosca, e-print arXiv:quant-ph/0407102, 2004.
  20. R. Cleve, A. Ekert, C. Macchiavello, and M. Mosca, Proc. R. Soc. London, Ser. A 454, 339 (1998).
  21. J. M. Borwein and P. B. Borwein, Pi and the AGM: A Study in Analytic Number Theory and Computational Complexity (Wiley-Interscience, New York, 1998).
  22. G. S. Fishman, Monte Carlo: Concepts, Algorithms, and Applications (Springer, New York, 1995).
  23. A. Peres, Quantum Theory: Concepts and Methods (Springer, New York, 1995).
  24. L. K. Grover, Proceedings of the 30th Annual ACM Symposium on the Theory of Computing (ACM, New York, 1998), pp. 53–62.
  25. D. S. Abrams and C. P. Williams, e-print arXiv:quant-ph/9908083, 1999.
  26. G. Brassard, P. Høyer, M. Mosca, and A. Tapp, e-print arXiv:quant-ph/0005055, 2000.
  27. A. Nayak and F. Wu, Proceedings of the 31st Annual ACM Symposium on the Theory of Computing (ACM, New York, 1999), pp. 384–393.
  28. E. Novak, J. Complex. 17, 2 (2001).
  29. A. N. Soklakov and R. Schack, Phys. Rev. A 73, 012307 (2006).
  30. D. S. Abrams and S. Lloyd, Phys. Rev. Lett. 79, 2586 (1997).
  31. A. Y. Kitaev, e-print arXiv:quant-ph/9511026, 1995.
  32. D. S. Abrams and S. Lloyd, Phys. Rev. Lett. 83, 5162 (1999).
  33. F. A. Cotton, Chemical Applications of Group Theory, 3rd ed. (Wiley, New York, 1990).
  34. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed. (NRC Research, Ottawa, 2006).
  35. C. Zalka, e-print arXiv:quant-ph/0407140, 2004.
  36. B. M. Terhal and D. P. DiVincenzo, Phys. Rev. A 61, 022301 (2000).
  37. L. Y. Zhang, R. A. Friesner, and R. B. Murphy, J. Chem. Phys. 107, 450 (1997).

CITING ARTICLES

For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.