CMCSN PUBLICATIONS

Predictive Capability for Strongly Correlated Systems CRT
2008 Half Semimetallic Antiferromagnetism in the Sr2CrTO6 System, T = Os, Ru., K.-W. Lee and W. E. Pickett, Phys. Rev. B 77 115101 (2008)
  Interaction-induced strong localization in quantum dots, A. D. Güçlü, A. Ghossal, C. J. Umrigar, and H. U. Baranger, Phys. Rev. B 77, 041301 (2008)
  Calculated Momentum Dependence of Zhang-Rice States in Transition Metal Oxides, Q. Yin, A. Gordienko, X. Wan, and S. Y. Savrasov, Phys. Rev. Lett. 100, 066406 (2008)
  Collapse of magnetic moment drives the Mott Transition in MnO, J. Kuneš, A. V. Lukoyanov, V. I. Anisimov, R. T. Scalettar, and W. E. Pickett, Nature Materials 7, 198 (2008)
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  Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules, J. Toulouse and C. J. Umrigar, J. Chem. Phys. 128, 174101 (2008)
  Hartree-Fock Ground State of the Three-Dimensional Electron Gas, S. Zhang and D. Ceperley, Phys. Rev. Lett. 100, 236404 (2008)
  The isotope effect in the Hubbard model with local phonons, A. Macridin and M. Jarrell, arXiv: 0803.0567(2008)
  Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F2, W. Purwanto, W. A. Al-Saidi. H. Krakauer, and S. Zhang, J. Chem. Phys. 128, 114309 (2008)
  Suppression of a d-wave superconductivity in the checkerboard model, D. G. S. P. Doluweera, M. Jarrell, T. A. Maier, A. Macridin, Th. Pruschke, Phys. Rev. B 78, 020504 (2008)
  Finite-Size Correction in Many-Body Electronic Structure Calculations, H. Kwee, S. Zhang, and H. Krakauer, Phys. Rev. Lett. 100, 126404 (2008)
  Synthesis of Ultrathin Palladium and Platinum Nanowires and a Study of Their Magnetic Properties, X. Teng, W.-Q. Han, W. Ku, and M. Hucker, Angewandte Chemie International Edition 47, 2055 (2008)
  Dynamical reconstruction of the exciton in LiF with inelastic x-ray scattering, P. Abbamonte, T. Graber, J. P. Reed, et. al, PNAS 105, 12159 (2008)
 
2007 Correlation effects in the triangular lattice single-band system LixNbO2, K.-W. Lee, J. Kuneš, R. T. Scalettar, and W. E. Pickett, Phys. Rev. B 76, 144513 (2007)
  Correlation-Driven Charge Order at the Interface Between a Mott and a Band Insulator, R. Pentcheva and W. E. Pickett, Phys. Rev. Lett. 99, 016802 (2007)
  A study of H+H2 and several H-bonded molecules by phaseless auxillary-field quantum Monte Carlo with phase wave and Gaussian basis sets, A. A. Al-Saidi, H. Krakauer, and S. Zhang, J. Chem. Phys. 126, 194105 (2007)
  Pressure-driven magnetic moment collapse in the ground state of MnO, D. Kasinathan, K. Koepernik, and W. E. Pickett, New. J. Phys. 9, 235 (2007)
  Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves pseudopotentials" Applications to atoms and molecules, M. Suewattana, W. Purwanto, S. Zhang, H. Krakauer, and E. J. Walter, Phys. Rev. B. 75, 245123 (2007)
  Orbital-quenching-induced magnetism in Ba2NaOsO6, K.-W. Lee and W. E. Pickett, Europhys. Lett. 80, 37008 (2007)
  Chemical differences between K and Na in alkali cobaltates, K.-W. Lee and W. E. Pickett, Phys. Rev. B 76, 134510 (2007)
  Correlation-Driven Charge Order at the Interface Between a Mott and a Band Insulator, R. Pentcheva and W. E. Pickett, Phys. Rev. Lett. 99, 016802 (2007)
  Pressure-driven magnetic moment collapse in the ground state of MnO, D. Kasinathan, K. Koepernik, and W. E. Pickett, New. J. Phys. 9, 235 (2007)
  Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves pseudopotentials" Applications to atoms and molecules, M. Suewattana, W. Purwanto, S. Zhang, H. Krakauer, and E. J. Walter, Phys. Rev. B. 75, 245123 (2007)
  Bond breaking with auxiliary-field quantum Monte Carlo, W. A. Al-Saidi, S. Zhang, and H. Krakauer, J. Chem. Phys. 127, 144101 (2007)
  Nonresonant Inelastic X-Ray Scattering and Energy-Resolved Wannier Function Investigation of d-d Excitations in NiO and CoO, B. C. Larson, W. Ku, J. Z. Tischler, et al., Phys. Rev. Lett. 99, 026401 (2007)
  Alleviation of the Fermion-sign Problem by Optimization of Many-Body Wave Functions, C. J. Umrigar, J. Toulouse, C. Filippi, S. Sorella, and R. G. Hennig, Phys. Rev. Lett. 98, 110201 (2007)
  Optimization of quantum Monte Carlo wave functions by energy minimization, J. Toulouse and C. J. Umrigar, J. Chem. Phys. 126, 084102 (2007)
  Half metals: from formal theory to real material issues, W. E. Pickett and J. Eschrig, J. Phys.: Condens. Matt. 19, 315203 (2007)
  High-energy kink in the single-particle spectra of the two-dimensional Hubbard model, A. Macridin, M. Jarrell, T. Maier, and D. J. Scalapino, Phys. Rev. Lett. 99, 237001 (2007)
  Systematic Analysis of a spin-susceptibility representation of the pairing interaction in the 2D Hubbard model, T. A. Maier, A. Macridin, M. Jarrell, and D. J. Scalapino, Phys. Rev. B 76, 144516 (2007)
  Nanoscale disorder in CaCu3Ti4O12: A New Route to the Enhanced Dielectric Response, Y. Zhu, J. C. Zheng, L. Wu, A. I. Frenkel, J. Hanson, P. Northrup, and W. Ku, Phys. Rev. Lett. 99, 037602 (2007)
  Effect of Number of Walls on Plasmon Behavior in Carbon nanotubes, M. H. Upton, R. F. Klie, J. P. Hill, et al., arXiv: 0611151v2 (2007)
 
2006 Calculation of Magnetic Exchange Interactions in Mott-Hubbard Systems, X. Wan, Q. Yin, and S. Y. Savrasov, Phys. Rev. Lett. 97, 266403 (2006)

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