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Vladimir A. Mandelshtam - Publications

Affiliations: 
Chemistry - Ph.D. University of California, Irvine, Irvine, CA 
Area:
Physical Chemistry, Theory Physics, Quantum Physics
Website:
https://www.chem.uci.edu/people/vladimir-mandelshtam

93 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
2016 Mallory JD, Mandelshtam VA. Diffusion Monte Carlo studies of MB-pol (H2O)2-6 and (D2O)2-6 clusters: Structures and binding energies Journal of Chemical Physics. 145. DOI: 10.1063/1.4960610  1
2015 Mallory JD, Mandelshtam VA. Binding energies from diffusion Monte Carlo for the MB-pol H2O and D2O dimer: A comparison to experimental values. The Journal of Chemical Physics. 143: 144303. PMID 26472375 DOI: 10.1063/1.4932596  1
2015 Mallory JD, Brown SE, Mandelshtam VA. Assessing the Performance of the Diffusion Monte Carlo Method As Applied to the Water Monomer, Dimer, and Hexamer. The Journal of Physical Chemistry. A. 119: 6504-15. PMID 26001418 DOI: 10.1021/acs.jpca.5b02511  1
2014 Martini BR, Aizikov K, Mandelshtam VA. The filter diagonalization method and its assessment for Fourier transform mass spectrometry International Journal of Mass Spectrometry. 373: 1-14. DOI: 10.1016/j.ijms.2014.08.010  1
2013 Georgescu I, Jitomirskaya S, Mandelshtam VA. On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: an application to water hexamer. The Journal of Chemical Physics. 139: 204104. PMID 24289341 DOI: 10.1063/1.4829836  1
2013 Martini BR, Mandelshtam VA, Morris GA, Colbourne AA, Nilsson M. Filter diagonalization method for processing PFG NMR data. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 234: 125-34. PMID 23871899 DOI: 10.1016/j.jmr.2013.06.014  1
2013 Georgescu I, Brown SE, Mandelshtam VA. Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations. The Journal of Chemical Physics. 138: 134502. PMID 23574239 DOI: 10.1063/1.4796144  1
2013 Brown SE, Georgescu I, Mandelshtam VA. Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters. The Journal of Chemical Physics. 138: 044317. PMID 23387594 DOI: 10.1063/1.4788977  1
2012 Georgescu I, Mandelshtam VA. Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters. The Journal of Chemical Physics. 137: 144106. PMID 23061838 DOI: 10.1063/1.4754819  1
2011 Georgescu I, Mandelshtam VA. A fast variational Gaussian wavepacket method: size-induced structural transitions in large neon clusters. The Journal of Chemical Physics. 135: 154106. PMID 22029296 DOI: 10.1063/1.3651473  1
2011 Georgescu I, Deckman J, Fredrickson LJ, Mandelshtam VA. Thermal Gaussian molecular dynamics for quantum dynamics simulations of many-body systems: application to liquid para-hydrogen. The Journal of Chemical Physics. 134: 174109. PMID 21548675 DOI: 10.1063/1.3585648  1
2011 Mandelshtam VA. Comment on "New generalization of supersymmetric quantum mechanics to arbitrary dimensionality or number of distinguishable particles". The Journal of Physical Chemistry. A. 115: 948-9; discussion 95. PMID 21244056 DOI: 10.1021/jp110681x  1
2010 Esfandiari NM, Wang Y, Bass JY, Cornell TP, Otte DA, Cheng MH, Hemminger JC, McIntire TM, Mandelshtam VA, Blum SA. Single-molecule imaging of platinum ligand exchange reaction reveals reactivity distribution. Journal of the American Chemical Society. 132: 15167-9. PMID 20731349 DOI: 10.1021/ja105517d  1
2010 Celik H, Shaka AJ, Mandelshtam VA. Sensitivity analysis of solutions of the harmonic inversion problem: are all data points created equal? Journal of Magnetic Resonance (San Diego, Calif. : 1997). 206: 120-6. PMID 20663693 DOI: 10.1016/j.jmr.2010.06.015  1
2010 Deckman J, Mandelshtam VA. The ground state estimation by global optimization of an effective potential. Application to binary para-H(2)/ortho-D(2) molecular clusters. The Journal of Physical Chemistry. A. 114: 9820-4. PMID 20540547 DOI: 10.1021/jp102898b  1
2010 Georgescu I, Mandelshtam VA. Molecular dynamics with quantum fluctuations Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.094305  1
2009 Deckman J, Mandelshtam VA. Quantum disordering versus melting in Lennard-Jones clusters. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 022101. PMID 19391788 DOI: 10.1103/PhysRevE.79.022101  1
2009 Deckman J, Mandelshtam VA. Effects of quantum delocalization on structural changes in Lennard-Jones clusters. The Journal of Physical Chemistry. A. 113: 7394-402. PMID 19388655 DOI: 10.1021/jp900095f  1
2009 Ridge CD, Mandelshtam VA. On projection-reconstruction NMR. Journal of Biomolecular Nmr. 43: 151-9. PMID 19159081 DOI: 10.1007/s10858-008-9297-4  1
2008 Deckman J, Frantsuzov PA, Mandelshtam VA. Quantum transitions in Lennard-Jones clusters. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 052102. PMID 18643115 DOI: 10.1103/PhysRevE.77.052102  1
2008 Frantsuzov PA, Mandelshtam VA. Equilibrium properties of quantum water clusters by the variational Gaussian wavepacket method. The Journal of Chemical Physics. 128: 094304. PMID 18331090 DOI: 10.1063/1.2833004  1
2007 Sharapov VA, Mandelshtam VA. Solid-solid structural transformations in Lennard-Jones clusters: accurate simulations versus the harmonic superposition approximation. The Journal of Physical Chemistry. A. 111: 10284-91. PMID 17685597 DOI: 10.1021/jp072929c  1
2007 Sharapov VA, Meluzzi D, Mandelshtam VA. Low-temperature structural transitions: circumventing the broken-ergodicity problem. Physical Review Letters. 98: 105701. PMID 17358547 DOI: 10.1103/PhysRevLett.98.105701  1
2006 Mandelshtam VA, Frantsuzov PA. Multiple structural transformations in Lennard-Jones clusters: generic versus size-specific behavior. The Journal of Chemical Physics. 124: 204511. PMID 16774357 DOI: 10.1063/1.2202312  1
2006 Mandelshtam VA, Frantsuzov PA, Calvo F. Structural transitions and melting in LJ(74-78) Lennard-Jones clusters from adaptive exchange Monte Carlo simulations. The Journal of Physical Chemistry. A. 110: 5326-32. PMID 16623459 DOI: 10.1021/jp055839l  1
2006 Frantsuzov PA, Meluzzi D, Mandelshtam VA. Structural transformations and melting in neon clusters: quantum versus classical mechanics. Physical Review Letters. 96: 113401. PMID 16605820 DOI: 10.1103/PhysRevLett.96.113401  1
2005 Frantsuzov PA, Mandelshtam VA. Size-temperature phase diagram for small Lennard-Jones clusters. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 037102. PMID 16241615 DOI: 10.1103/PhysRevE.72.037102  1
2005 Thureau P, Thévand A, Ancian B, Escavabaja P, Armstrong GS, Mandelshtam VA. Identification of two isomers from an organic mixture by double-stimulated-echo NMR and construction of the DOSY spectra by the regularized resolvent transform method. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1510-3. PMID 16035030 DOI: 10.1002/cphc.200500192  1
2005 Predescu C, Frantsuzov PA, Mandelshtam VA. Thermodynamics and equilibrium structure of Ne38 cluster: quantum mechanics versus classical. The Journal of Chemical Physics. 122: 154305. PMID 15945633 DOI: 10.1063/1.1860331  1
2005 Armstrong GS, Mandelshtam VA, Shaka AJ, Bendiak B. Rapid high-resolution four-dimensional NMR spectroscopy using the filter diagonalization method and its advantages for detailed structural elucidation of oligosaccharides. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 173: 160-8. PMID 15705524 DOI: 10.1016/j.jmr.2004.11.027  1
2004 Frantsuzov PA, Mandelshtam VA. Quantum statistical mechanics with Gaussians: equilibrium properties of van der Waals clusters. The Journal of Chemical Physics. 121: 9247-56. PMID 15538845 DOI: 10.1063/1.1804495  1
2004 Armstrong GS, Cano KE, Mandelshtam VA, Shaka AJ, Bendiak B. Rapid 3D NMR using the filter diagonalization method: application to oligosaccharides derivatized with 13C-labeled acetyl groups. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 170: 156-63. PMID 15324769 DOI: 10.1016/j.jmr.2004.06.002  1
2004 Chen J, Nietlispach D, Shaka AJ, Mandelshtam VA. Ultra-high resolution 3D NMR spectra from limited-size data sets. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 169: 215-24. PMID 15261616 DOI: 10.1016/j.jmr.2004.04.017  1
2003 Armstrong GS, Chen J, Cano KE, Shaka AJ, Mandelshtam VA. Regularized resolvent transform for direct calculation of 45 degrees projections of 2D J spectra. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 164: 136-44. PMID 12932465 DOI: 10.1016/S1090-7807(03)00129-0  1
2003 Armstrong GS, Loening NM, Curtis JE, Shaka AJ, Mandelshtam VA. Processing DOSY spectra using the regularized resolvent transform. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 163: 139-48. PMID 12852918 DOI: 10.1016/S1090-7807(03)00126-5  1
2003 Chen J, De Angelis AA, Mandelshtam VA, Shaka AJ. Progress on the two-dimensional filter diagonalization method. An efficient doubling scheme for two-dimensional constant-time NMR. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 162: 74-89. PMID 12762985 DOI: 10.1016/S1090-7807(03)00045-4  1
2003 Lüchow A, Neuhauser D, Ka J, Baer R, Chen J, Mandelshtam VA. Computing energy levels by inversion of imaginary-time cross-correlation functions Journal of Physical Chemistry A. 107: 7175-7180. DOI: 10.1021/jp034381p  1
2003 Frantsuzov P, Neumaier A, Mandelshtam VA. Gaussian resolutions for equilibrium density matrices Chemical Physics Letters. 381: 117-122. DOI: 10.1016/j.cplett.2003.09.104  1
2002 Mandelshtam VA, Carrington T. Comment on "Spectral filters in quantum mechanics: a measurement theory perspective". Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 028701. PMID 11863704 DOI: 10.1103/PhysRevE.65.028701  1
2002 Dribinski V, Ossadtchi A, Mandelshtam VA, Reisler H. Reconstruction of Abel-transformable images: The Gaussian basis-set expansion Abel transform method Review of Scientific Instruments. 73: 2634. DOI: 10.1063/1.1482156  1
2001 Armstrong GS, Mandelshtam VA. The extended Fourier transform for 2D spectral estimation. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 153: 22-31. PMID 11700078 DOI: 10.1006/jmre.2001.2425  1
2001 Neumaier A, Mandelshtam VA. Pseudotime Schrödinger equation with absorbing potential for quantum scattering calculations Physical Review Letters. 86: 5031-5034. DOI: 10.1103/PhysRevLett.86.5031  1
2001 Weiß J, Hauschildt J, Schinke R, Haan O, Skokov S, Bowman JM, Mandelshtam VA, Peterson KA. The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data Journal of Chemical Physics. 115: 8880-8887. DOI: 10.1063/1.1412602  1
2001 Mandelshtam VA. FDM: The filter diagonalization method for data processing in NMR experiments Progress in Nuclear Magnetic Resonance Spectroscopy. 38: 159-196. DOI: 10.1016/S0079-6565(00)00032-7  1
2001 Mandelshtam VA. The regularized resolvent transform for quantum dynamics calculations Journal of Physical Chemistry A. 105: 2764-2769.  1
2000 Chen J, Shaka AJ, Mandelshtam VA. RRT: the regularized resolvent transform for high-resolution spectral estimation Journal of Magnetic Resonance (San Diego, Calif. : 1997). 147: 129-37. PMID 11042056 DOI: 10.1006/jmre.2000.2176  1
2000 Chen J, Mandelshtam VA, Shaka AJ. Regularization of the two-dimensional filter diagonalization method: FDM2K Journal of Magnetic Resonance (San Diego, Calif. : 1997). 146: 363-8. PMID 11001852 DOI: 10.1006/jmre.2000.2155  1
2000 Hu H, De Angelis AA, Mandelshtam VA, Shaka AJ. The multidimensional filter diagonalization method. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 144: 357-66. PMID 10828203 DOI: 10.1006/jmre.2000.2066  1
2000 Mandelshtam VA. The Multidimensional Filter Diagonalization Method: I. Theory and Numerical Implementation Journal of Magnetic Resonance. 144: 343-356. PMID 10828202 DOI: 10.1006/jmre.2000.2023  1
2000 Chen J, Mandelshtam VA. Multiscale filter diagonalization method for spectral analysis of noisy data with nonlocalized features Journal of Chemical Physics. 112: 4429-4437.  1
2000 Weiß J, Schinke R, Mandelshtam VA. Renner-Teller induced photodissociation of HCO in the first absorption band: Determination of linewidths for the Ã2A″ K=0,1 states by filter-diagonalization Journal of Chemical Physics. 113: 4588-4597.  1
1999 Jeschke G, Mandelshtam VA, Shaka AJ. Pure absorption electron spin echo envelope modulation spectra by using the filter-diagonalization method for harmonic inversion. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 137: 221-30. PMID 10053151 DOI: 10.1006/jmre.1998.1658  1
1999 Skokov S, Bowman JM, Mandelshtam VA. Calculation of resonance states of non-rotating HOCl using an accurate ab initio potential Physical Chemistry Chemical Physics. 1: 1279-1282. DOI: 10.1039/a808809h  1
1999 Main J, Weibert K, Mandelshtam VA, Wunner G. Semiclassical spectra and diagonal matrix elements by harmonic inversion of cross-correlated periodic orbit sums Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 1639-1642.  1
1999 Salzgeber RF, Mandelshtam VA, Schlier C, Taylor HS. All the nonadiabatic (J=0) bound states of NO2 Journal of Chemical Physics. 110: 3756-3764.  1
1999 Mandelshtam VA, Taylor ND, Hu H, Smith M, Shaka AJ. Highly resolved double absorption 2D NMR spectra from complex severely truncated 2D phase-modulated signals by filter-diagonalization-averaging method Chemical Physics Letters. 305: 209-216.  1
1998 Hu H, Van QN, Mandelshtam VA, Shaka AJ. Reference deconvolution, phase correction, and line listing of NMR spectra by the 1D filter diagonalization method. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 134: 76-87. PMID 9740734 DOI: 10.1006/jmre.1998.1516  1
1998 Mandelshtam VA, Taylor HS, Shaka AJ. Application of the filter diagonalization method to one- and two-dimensional NMR spectra Journal of Magnetic Resonance (San Diego, Calif. : 1997). 133: 304-12. PMID 9716473 DOI: 10.1006/jmre.1998.1476  1
1998 Main J, Mandelshtam VA, Wunner G, Taylor HS. Harmonic inversion as a general method for periodic orbit quantization Nonlinearity. 11: 1015-1035. DOI: 10.1088/0951-7715/11/4/014  1
1998 Skokov S, Qi J, Bowman JM, Yang CY, Gray SK, Peterson KA, Mandelshtam VA. Accurate variational calculations and analysis of the HOCl vibrational energy spectrum Journal of Chemical Physics. 109: 10273-10283. DOI: 10.1063/1.477723  1
1998 Mandelshtam VA, Taylor HS. Erratum: “Harmonic inversion of time signals and its applications” [J. Chem. Phys. 107, 6756 (1997)] The Journal of Chemical Physics. 109: 4128-4128. DOI: 10.1063/1.477013  0.32
1998 Salzgeber RF, Mandelshtam V, Schlier C, Taylor HS. All the adiabatic bound states of NO2 Journal of Chemical Physics. 109: 937-941. DOI: 10.1063/1.476636  1
1998 Mandelshtam VA, Van QN, Shaka AJ. Obtaining proton chemical shifts and multiplets from several 1D NMR signals [19] Journal of the American Chemical Society. 120: 12161-12162. DOI: 10.1021/ja9824977  1
1998 Mandelshtam VA. Harmonic inversion of time cross-correlation functions: The optimal way to perform quantum or semiclassical dynamics calculations Journal of Chemical Physics. 108: 9999-10007.  1
1998 Mandelshtam VA, Ovchinnikov M. Extraction of tunneling splittings from a real time semiclassical propagation Journal of Chemical Physics. 108: 9206-9209.  1
1998 Mandelshtam VA, Taylor HS. Multidimensional harmonic inversion by filter-diagonalization Journal of Chemical Physics. 108: 9970-9977.  1
1998 Mandelshtam VA, Hu H, Shaka AJ. Two-dimensional HSQC NMR spectra obtained using a self-compensating double pulsed field gradient and processed using the filter diagonalization method Magnetic Resonance in Chemistry. 36: S17-S28.  1
1997 Mandelshtam VA, Taylor HS. Harmonic inversion of time signals and its applications Journal of Chemical Physics. 107: 6756-6769.  1
1997 Mandelshtam VA, Taylor HS. The quantum resonance spectrum of the H3 + molecular ion for J = 0. An accurate calculation using filter diagonalization Journal of the Chemical Society - Faraday Transactions. 93: 847-860.  1
1997 Mandelshtam VA, Taylor HS. A low-storage filter diagonalization method for quantum eigenenergy calculation or for spectral analysis of time signals Journal of Chemical Physics. 106: 5085-5090.  1
1997 Mandelshtam VA, Taylor HS. Spectral analysis of time correlation function for a dissipative dynamical system using filter diagonalization: Application to calculation of unimolecular decay rates Physical Review Letters. 78: 3274-3277.  1
1997 Main J, Mandelshtam VA, Taylor HS. Periodic orbit quantization by harmonic inversion of Gutzwiller's recurrence function Physical Review Letters. 79: 825-828.  1
1997 Main J, Mandelshtam VA, Taylor HS. High resolution quantum recurrence spectra: Beyond the uncertainty principle Physical Review Letters. 78: 4351-4354.  1
1997 Grossmann F, Mandelshtam VA, Taylor HS, Briggs JS. Harmonic inversion of semiclassical short time signals Chemical Physics Letters. 279: 355-360.  1
1996 Mandelshtam VA, Moiseyev N. Complex scaling of ab initio molecular potential surfaces Journal of Chemical Physics. 104: 6192-6195.  1
1996 Mandelshtam VA, Taylor HS, Miller WH. Collisional recombination reaction H+O2+M→HO2+M: Quantum mechanical study using filter diagonalization Journal of Chemical Physics. 105: 496-503.  1
1996 Ravuri TR, Mandelshtam VA, Taylor HS. The calculation of transmission and resonance properties of quantum devices using methods from chemical reactive scattering Superlattices and Microstructures. 20: 86-104.  1
1995 Mandelshtam VA, Taylor HS. Spectral projection approach to the quantum scattering calculations The Journal of Chemical Physics. 102: 7390-7399.  1
1995 Mandelshtam VA, Taylor HS. A simple recursion polynomial expansion of the Green's function with absorbing boundary conditions. Application to the reactive scattering The Journal of Chemical Physics. 103: 2903-2907.  1
1995 Mandelshtam VA, Grozdanov TP, Taylor HS. Bound states and resonances of the hydroperoxyl radical HO2: An accurate quantum mechanical calculation using filter diagonalization The Journal of Chemical Physics. 103: 10074-10084.  1
1995 Grozdanov TP, Mandelshtam VA, Taylor HS. Recursion polynomial expansion of the Green's function with absorbing boundary conditions: Calculations of resonances of HCO by filter diagonalization The Journal of Chemical Physics. 103: 7990-7995.  1
1995 Mandelshtam VA, Taylor HS, Jung C, Bowen HF, Kouri DJ. Extraction of dynamics from the resonance structure of HeH2 + spectra The Journal of Chemical Physics. 102: 7988-8000.  1
1994 Mandelshtam VA, Taylor HS, Ryaboy V, Moiseyev N. Stabilization theory for computing energies and widths of resonances Physical Review A. 50: 2764-2766. DOI: 10.1103/PhysRevA.50.2764  1
1994 Lozovik YE, Mandelshtam VA. Asymptotic properties of path integral Monte Carlo calculations Il Nuovo Cimento B Series 11. 109: 575-581. DOI: 10.1007/BF02728439  1
1994 Ryaboy V, Moiseyev N, Mandelshtam VA, Taylor HS. Resonance positions and widths by complex scaling and modified stabilization methods: Van der Waals complex NeICl The Journal of Chemical Physics. 101: 5677-5682.  1
1994 Mandelshtam VA, Ravuri TR, Taylor HS. The stabilization theory of scattering The Journal of Chemical Physics. 101: 8792-8799.  1
1993 Mandelshtam VA, Ravuri TR, Taylor HS. Calculation of the density of resonance states using the stabilization method Physical Review Letters. 70: 1932-1935. DOI: 10.1103/PhysRevLett.70.1932  1
1993 Mandelshtam VA, Ravuri TR, Taylor HS. scrL2 stabilization theory of dynamics: Dissociative photoabsorption Physical Review A. 48: 818-821. DOI: 10.1103/PhysRevA.48.818  1
1993 Mandelshtam VA, Taylor HS. The evaluation of microcanonical and canonical rate constants using the stabilization theory of dynamics The Journal of Chemical Physics. 99: 222-227.  1
1992 Lozovik YE, Mandelshtam VA. Classical and quantum melting of a Coulomb cluster in a trap Physics Letters A. 165: 469-472. DOI: 10.1016/0375-9601(92)90349-Q  1
1991 Mandelshtam VA, Zhitomirskaya SY. 1 D-quasiperiodic operators. Latent symmetries Communications in Mathematical Physics. 139: 589-604. DOI: 10.1007/BF02101881  1
1990 Lozovik YE, Mandelshtam VA. Coulomb clusters in a trap Physics Letters A. 145: 269-271. DOI: 10.1016/0375-9601(90)90362-R  1
1989 Lozovik YE, Mandelshtam VA. 2D dipole system in a strong field Physics Letters A. 138: 204-207. DOI: 10.1016/0375-9601(89)90029-7  1
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