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Neil A. Shenvi, Ph.D. - Publications

Affiliations: 
2005 University of California, Berkeley, Berkeley, CA, United States 
Area:
Quantum Information and Computation, Quantum mechanics of clusters and nanomaterials, Chemical Physics
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28 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Shenvi N, van Aggelen H, Yang Y, Yang W. Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4)). The Journal of Chemical Physics. 141: 024119. PMID 25028011 DOI: 10.1063/1.4886584  0.317
2013 Shenvi N, van Aggelen H, Yang Y, Yang W, Schwerdtfeger C, Mazziotti D. The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling. The Journal of Chemical Physics. 139: 054110. PMID 23927246 DOI: 10.1063/1.4817184  0.374
2013 Hoy EP, Shenvi N, Mazziotti DA. Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations. The Journal of Chemical Physics. 139: 034105. PMID 23883008 DOI: 10.1063/1.4813495  0.353
2012 Shenvi N, Yang W. Achieving partial decoherence in surface hopping through phase correction. The Journal of Chemical Physics. 137: 22A528. PMID 23249065 DOI: 10.1063/1.4746407  0.382
2012 Shenvi N, Tully JC. Nonadiabatic dynamics at metal surfaces: independent electron surface hopping with phonon and electron thermostats. Faraday Discussions. 157: 325-35; discussion 3. PMID 23230776 DOI: 10.1039/C2Fd20032E  0.346
2011 Shenvi N, Yang W. An algebraic operator approach to electronic structure. The Journal of Chemical Physics. 135: 244111. PMID 22225148 DOI: 10.1063/1.3671388  0.329
2011 Shenvi N, Subotnik JE, Yang W. Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction. The Journal of Chemical Physics. 135: 024101. PMID 21766919 DOI: 10.1063/1.3603447  0.385
2011 Subotnik JE, Shenvi N. Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation? The Journal of Chemical Physics. 134: 244114. PMID 21721619 DOI: 10.1063/1.3603448  0.35
2011 Shenvi N, Subotnik JE, Yang W. Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics. The Journal of Chemical Physics. 134: 144102. PMID 21495737 DOI: 10.1063/1.3575588  0.399
2011 Subotnik JE, Shenvi N. A new approach to decoherence and momentum rescaling in the surface hopping algorithm. The Journal of Chemical Physics. 134: 024105. PMID 21241078 DOI: 10.1063/1.3506779  0.382
2010 Shenvi N, Izmaylov AF. Active-space N-representability constraints for variational two-particle reduced density matrix calculations. Physical Review Letters. 105: 213003. PMID 21231299 DOI: 10.1103/Physrevlett.105.213003  0.313
2009 Shenvi N, Roy S, Tully JC. Dynamical steering and electronic excitation in NO scattering from a gold surface. Science (New York, N.Y.). 326: 829-32. PMID 19892977 DOI: 10.1126/Science.1179240  0.334
2009 Subotnik JE, Cave RJ, Steele RP, Shenvi N. The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactions. The Journal of Chemical Physics. 130: 234102. PMID 19548706 DOI: 10.1063/1.3148777  0.322
2009 Roy S, Shenvi NA, Tully JC. Model Hamiltonian for the interaction of NO with the Au(111) surface. The Journal of Chemical Physics. 130: 174716. PMID 19425807 DOI: 10.1063/1.3122989  0.323
2009 Shenvi N, Roy S, Tully JC. Nonadiabatic dynamics at metal surfaces: independent-electron surface hopping. The Journal of Chemical Physics. 130: 174107. PMID 19425769 DOI: 10.1063/1.3125436  0.375
2009 Shenvi N. Phase-space surface hopping: Nonadiabatic dynamics in a superadiabatic basis Journal of Chemical Physics. 130: 124117-124117. PMID 19334818 DOI: 10.1063/1.3098321  0.353
2009 Roy S, Shenvi N, Tully JC. Dynamics of open-shell species at metal surfaces Journal of Physical Chemistry C. 113: 16311-16320. DOI: 10.1021/Jp811393W  0.34
2008 Schmidt JR, Shenvi N, Tully JC. Controlling spin contamination using constrained density functional theory. The Journal of Chemical Physics. 129: 114110. PMID 19044953 DOI: 10.1063/1.2978168  0.338
2007 Cheng H, Shenvi N, Tully JC. Semiclassical dynamics of electron transfer at metal surfaces. Physical Review Letters. 99: 053201. PMID 17930749 DOI: 10.1103/Physrevlett.99.053201  0.326
2006 Shenvi N, Cheng H, Tully JC. Nonadiabatic dynamics near metal surfaces: Decoupling quantum equations of motion in the wide-band limit Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.062902  0.325
2006 Shenvi N, Whaley KB. Expectation value constraints for the N -representability problem Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.022507  0.479
2005 De Sousa R, Shenvi N, Whaley KB. Qubit coherence control in a nuclear spin bath Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.045330  0.504
2005 Shenvi N, De Sousa R, Whaley KB. Universal scaling of hyperfine-induced electron spin echo decay Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.224411  0.525
2005 Shenvi N, De Sousa R, Whaley KB. Nonperturbative bounds on electron spin coherence times induced by hyperfine interactions Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.144419  0.504
2004 Leslie S, Shenvi N, Brown KR, Stamper-Kurn DM, Whaley KB. Transmission spectrum of an optical cavity containing N atoms Physical Review a - Atomic, Molecular, and Optical Physics. 69: 043805-1. DOI: 10.1103/Physreva.69.043805  0.56
2003 Shenvi N, Brown KR, Whaley KB. Effects of a random noisy oracle on search algorithm complexity Physical Review a - Atomic, Molecular, and Optical Physics. 68: 523131-5231311. DOI: 10.1103/Physreva.68.052313  0.593
2003 Shenvi N, Kempe J, Whaley KB. Quantum random-walk search algorithm Physical Review a - Atomic, Molecular, and Optical Physics. 67: 523071-5230711. DOI: 10.1103/Physreva.67.052307  0.624
2003 Shenvi N, Geremia JM, Rabitz H. Substituent ordering and interpolation in molecular library optimization Journal of Physical Chemistry A. 107: 2066-2074. DOI: 10.1021/Jp021932N  0.3
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