V. Mandelshtam

发表

Gaussian resolutions for equilibrium density matrices

A. Neumaier, P. Frantsuzov, V. Mandelshtam, 2003, quant-ph/0306124.

Multiple structural transformations in Lennard-Jones clusters: generic versus size-specific behavior.

Vladimir A Mandelshtam, P. Frantsuzov, V. Mandelshtam, 2006, The Journal of chemical physics.

Reference deconvolution, phase correction, and line listing of NMR spectra by the 1D filter diagonalization method.

A. J. Shaka, V. Mandelshtam, H. Hu, 1998, Journal of magnetic resonance.

FDM: The Filter Diagonalization Method for Data Processing in NMR Experiments

V. Mandelshtam, 2001 .

Harmonic inversion of time signals and its applications

V. Mandelshtam, H. Taylor, 1997 .

Spectral projection approach to the quantum scattering calculations

V. Mandelshtam, H. Taylor, 1995 .

A simple recursion polynomial expansion of the Green’s function with absorbing boundary conditions. Application to the reactive scattering

V. Mandelshtam, H. Taylor, 1995 .

The multidimensional filter diagonalization method.

A. J. Shaka, V. Mandelshtam, A. D. De Angelis, 2000, Journal of magnetic resonance.

On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: an application to water hexamer.

V. Mandelshtam, I. Georgescu, S. Jitomirskaya, 2013, The Journal of chemical physics.

Self-consistent phonons: An accurate and practical method to account for anharmonic effects in equilibrium properties of general classical or quantum many-body systems

Sandra E Brown, V. Mandelshtam, 2016 .

Quantum statistical mechanics with Gaussians: equilibrium properties of van der Waals clusters.

Vladimir A Mandelshtam, P. Frantsuzov, V. Mandelshtam, 2004, The Journal of chemical physics.

Effects of quantum delocalization on structural changes in Lennard-Jones clusters.

V. Mandelshtam, Jason Deckman, Jason T. Deckman, 2009, The journal of physical chemistry. A.

Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters.

Vladimir A Mandelshtam, V. Mandelshtam, I. Georgescu, 2012, The Journal of chemical physics.

Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters.

Sandra E Brown, V. Mandelshtam, I. Georgescu, 2013, The Journal of chemical physics.

Ultra-high resolution 3D NMR spectra from limited-size data sets.

A. J. Shaka, Vladimir A Mandelshtam, Daniel Nietlispach, 2004, Journal of magnetic resonance.

Sensitivity analysis of solutions of the harmonic inversion problem: are all data points created equal?

A. J. Shaka, V. Mandelshtam, H. Celik, 2010, Journal of magnetic resonance (San Diego, Calif. 1997 : Print).

Processing DOSY spectra using the regularized resolvent transform.

A. J. Shaka, V. Mandelshtam, J. E. Curtis, 2003, Journal of magnetic resonance.

Accurate variational calculations and analysis of the HOCl vibrational energy spectrum

V. Mandelshtam, S. Gray, J. Bowman, 1998 .

Title Comment on " Benchmarking Compressed Sensing , Super-Resolution , and Filter Diagonalization " Permalink

V. Mandelshtam, 2018 .

Regularized resolvent transform for direct calculation of 45° projections of 2D J spectra

A. J. Shaka, V. Mandelshtam, G. S. Armstrong, 2003 .

Resonance positions and widths by complex scaling and modified stabilization methods: van der Waals complex NeICl

V. Mandelshtam, N. Moiseyev, H. Taylor, 1994 .

Spectral Analysis of Time Correlation Function for a Dissipative Dynamical System Using Filter Diagonalization: Application to Calculation of Unimolecular Decay Rates

V. Mandelshtam, H. Taylor, 1997 .

Thermodynamics and equilibrium structure of Ne38 cluster: quantum mechanics versus classical.

C. Predescu, P. Frantsuzov, V. Mandelshtam, 2005, Journal of Chemical Physics.

Rapid 3D NMR using the filter diagonalization method: application to oligosaccharides derivatized with 13C-labeled acetyl groups.

A. J. Shaka, V. Mandelshtam, G. S. Armstrong, 2004, Journal of magnetic resonance.

Obtaining Proton Chemical Shifts and Multiplets from Several 1D NMR Signals

A. J. Shaka, V. Mandelshtam, Q. Van, 1998 .

All the nonadiabatic (J=0) bound states of NO2

V. Mandelshtam, H. Taylor, Ch. Schlier, 1999 .

Multiscale filter diagonalization method for spectral analysis of noisy data with nonlocalized features

V. Mandelshtam, Jianhan Chen, 2000 .

Pure absorption electron spin echo envelope modulation spectra by using the filter-diagonalization method for harmonic inversion.

A. J. Shaka, V. Mandelshtam, G. Jeschke, 1999, Journal of magnetic resonance.

Gaussian resolutions for equilibrium density matrices

A. Neumaier, P. Frantsuzov, V. Mandelshtam, 2003, quant-ph/0306124.

Further generalization and numerical implementation of pseudo-time Schroedinger equations for quantum scattering calculations

A. Neumaier, V. Mandelshtam, 2002, physics/0204049.

The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data

V. Mandelshtam, J. Bowman, K. Peterson, 2001 .

Renner–Teller induced photodissociation of HCO in the first absorption band: Determination of linewidths for the Ã 2A″ K=0,1 states by filter-diagonalization

V. Mandelshtam, R. Schinke, J. Weiss, 2000 .

Harmonic inversion as a general method for periodic orbit quantization

V. Mandelshtam, J. Main, G. Wunner, 1997, chao-dyn/9709009.

The quantum resonance spectrum of the H3+ molecular ion for J = 0. An accurate calculation using filter diagonalization

V. Mandelshtam, H. Taylor, 1997 .

Complex scaling of ab initio molecular potential surfaces

V. Mandelshtam, N. Moiseyev, 1996 .

Quantum Melting and Isotope Effects from Diffusion Monte Carlo Studies of p-H2 Clusters.

V. Mandelshtam, J. D. Mallory, 2017, The journal of physical chemistry. A.

Water hexamer: Self-consistent phonons versus reversible scaling versus replica exchange molecular dynamics

Sandra E Brown, V. Mandelshtam, 2014, 1409.7824.

The extended Fourier transform for 2D spectral estimation.

V. Mandelshtam, G. S. Armstrong, 2001, Journal of magnetic resonance.

Molecular Spectra Calculations Using an Optimized Quasi-Regular Gaussian Basis and the Collocation Method.

V. Mandelshtam, S. Flynn, 2021, Journal of chemical theory and computation.

Sampling general distributions with quasi-regular grids: Application to the vibrational spectra calculations.

V. Mandelshtam, S. Flynn, 2019, Journal of Chemical Physics.

Reconstruction of Abel-transformable images: The Gaussian basis-set expansion Abel transform method

Alexei Ossadtchi, Vladimir A. Mandelshtam, Hanna Reisler, 2002 .

1D-quasiperiodic operators. Latent symmetries

V. Mandelshtam, S. Zhitomirskaya, 1991 .

Thermal Gaussian molecular dynamics for quantum dynamics simulations of many-body systems: application to liquid para-hydrogen.

V. Mandelshtam, I. Georgescu, Jason T. Deckman, 2011, The Journal of chemical physics.

Magic numbers, quantum delocalization, and orientational disordering in anionic hydrogen and deuterium clusters.

V. Mandelshtam, J. D. Mallory, Bridgett H Kohno, 2019, The Journal of chemical physics.

Classical and quantum melting of a Coulomb cluster in a trap

V. Mandelshtam, Y. Lozovik, 1992 .

Coulomb clusters in a trap

V. Mandelshtam, Y. Lozovik, 1990 .

The Multidimensional Filter Diagonalization Method: II. Application to 2D Projections of 2D, 3D, and 4D NMR Experiments

A. J. Shaka, Vladimir A. Mandelshtam, V. Mandelshtam, 2000 .

Collisional recombination reaction H+O2+M→HO2+M: Quantum mechanical study using filter diagonalization

W. Miller, V. Mandelshtam, H. Taylor, 1996 .

Extraction of dynamics from the resonance structure of HeH2+ spectra

D. Kouri, V. Mandelshtam, H. Taylor, 1995 .

Recursion polynomial expansion of the Green’s function with absorbing boundary conditions: Calculations of resonances of HCO by filter diagonalization

V. Mandelshtam, H. Taylor, T. Grozdanov, 1995 .

Calculation of resonance states of non-rotating HOCl using an accurate ab initio potential

V. Mandelshtam, J. Bowman, S. Skokov, 1999 .

Riemann zeros and periodic orbit quantization by harmonic inversion

V. Mandelshtam, J. Main, G. Wunner, 1997 .

Structural transitions and melting in LJ(74-78) Lennard-Jones clusters from adaptive exchange Monte Carlo simulations.

Vladimir A Mandelshtam, Florent Calvo, P. Frantsuzov, 2006, The journal of physical chemistry. A.

Single-molecule imaging of platinum ligand exchange reaction reveals reactivity distribution.

Douglas A. L. Otte, V. Mandelshtam, J. Hemminger, 2010, Journal of the American Chemical Society.

The filter diagonalization method and its assessment for Fourier transform mass spectrometry

V. Mandelshtam, Konstantin Aizikov, Beau R. Martini, 2014 .

Rapid high-resolution four-dimensional NMR spectroscopy using the filter diagonalization method and its advantages for detailed structural elucidation of oligosaccharides.

A. J. Shaka, V. Mandelshtam, G. S. Armstrong, 2005, Journal of magnetic resonance.

Extraction of tunneling splittings from a real time semiclassical propagation

V. Mandelshtam, M. Ovchinnikov, 1998 .

Periodic Orbit Quantization by Harmonic Inversion of Gutzwiller's Recurrence Function

V. Mandelshtam, J. Main, H. Taylor, 1997 .

Bound states and resonances of the hydroperoxyl radical HO2: An accurate quantum mechanical calculation using filter diagonalization

V. Mandelshtam, H. Taylor, T. Grozdanov, 1995 .

Comment on "New generalization of supersymmetric quantum mechanics to arbitrary dimensionality or number of distinguishable particles".

V. Mandelshtam, 2011, The journal of physical chemistry. A.

Structural transformations and melting in neon clusters: quantum versus classical mechanics.

P. Frantsuzov, V. Mandelshtam, Dario Meluzzi, 2006, Physical review letters.

The evaluation of microcanonical and canonical rate constants using the stabilization theory of dynamics

V. Mandelshtam, H. Taylor, 1993 .

The stabilization theory of scattering

V. Mandelshtam, H. Taylor, Ravuri Tr, 1994 .

Implementation of the self-consistent phonons method with ab initio potentials (AI-SCP).

Colin J Schiltz, Dmitrij Rappoport, V. Mandelshtam, 2023, The Journal of chemical physics.

Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy.

Sandra E Brown, V. Mandelshtam, R. Steele, 2017, Journal of the American Chemical Society.

A fast variational Gaussian wavepacket method: size-induced structural transitions in large neon clusters.

V. Mandelshtam, I. Georgescu, 2011, The Journal of chemical physics.

Diffusion Monte Carlo studies of MB-pol (H2O)2−6 and (D2O)2−6 clusters: Structures and binding energies

V. Mandelshtam, J. D. Mallory, 2016 .

Equilibrium properties of quantum water clusters by the variational Gaussian wavepacket method.

P. Frantsuzov, V. Mandelshtam, 2008, The Journal of chemical physics.

Quantum-induced solid-solid transitions and melting in the Lennard-Jones LJ38 cluster.

V. Mandelshtam, J. D. Mallory, 2018, The Journal of chemical physics.

Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations.

Sandra E Brown, V. Mandelshtam, I. Georgescu, 2013, The Journal of chemical physics.

The ground state estimation by global optimization of an effective potential. Application to binary para-H(2)/ortho-D(2) molecular clusters.

V. Mandelshtam, Jason T. Deckman, 2010, Journal of Physical Chemistry A.

Molecular dynamics with quantum fluctuations

V. Mandelshtam, I. Georgescu, 2010 .

Quantum disordering versus melting in Lennard-Jones clusters.

V. Mandelshtam, Jason T. Deckman, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Quantum transitions in Lennard-Jones clusters.

P. Frantsuzov, V. Mandelshtam, Jason T. Deckman, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

The loss of size sensitivity in para-hydrogen clusters due to the strong quantum delocalization.

V. Mandelshtam, Bridgett H Kohno, 2020, The journal of physical chemistry. A.

ON HARMONIC INVERSION OF CROSS-CORRELATION FUNCTIONS BY THE FILTER DIAGONALIZATION METHOD

Vladimir A. Mandelshtam, V. Mandelshtam, 2003 .

All the adiabatic bound states of NO2

V. Mandelshtam, H. Taylor, Ch. Schlier, 1998 .

Harmonic inversion of time cross-correlation functions: The optimal way to perform quantum or semiclassical dynamics calculations

V. Mandelshtam, 1998 .

A low-storage filter diagonalization method for quantum eigenenergy calculation or for spectral analysis of time signals

Vladimir A. Mandelshtam, Howard S. Taylor, V. Mandelshtam, 1997 .

I . Theory and Numerical Implementation

V. Mandelshtam, 2000 .

Multidimensional harmonic inversion by filter-diagonalization

Vladimir A. Mandelshtam, Howard S. Taylor, V. Mandelshtam, 1998 .

Harmonic inversion of semiclassical short time signals

F. Grossmann, V. Mandelshtam, J. Briggs, 1997 .

All the adiabatic bound states of NO 2 (J=0)

V. Mandelshtam, H. Taylor, Ch. Schlier, 1997 .

Low-temperature structural transitions: circumventing the broken-ergodicity problem.

Vladimir A Mandelshtam, Dario Meluzzi, V. Mandelshtam, 2007, Physical review letters.

Solid-solid structural transformations in Lennard-Jones clusters: accurate simulations versus the harmonic superposition approximation.

Vladimir A Mandelshtam, V. Mandelshtam, Vladimir A Sharapov, 2007, The journal of physical chemistry. A.

Size-temperature phase diagram for small Lennard-Jones clusters.

P. Frantsuzov, V. Mandelshtam, 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters.

V. Mandelshtam, I. Georgescu, 2012, The Journal of chemical physics.

Effects of quantum delocalization on structural changes in Lennard-Jones clusters.

V. Mandelshtam, Jason T. Deckman, 2009, Journal of Physical Chemistry A.

Filter Diagonalization Methods for Time-Domain Signals

A. J. Shaka, Vladimir A. Mandelshtam, V. Mandelshtam, 2007 .

Progress on the two-dimensional filter diagonalization method. An efficient doubling scheme for two-dimensional constant-time NMR.

A. J. Shaka, Vladimir A Mandelshtam, V. Mandelshtam, 2003, Journal of magnetic resonance.

Regularization of the two-dimensional filter diagonalization method: FDM2K

A. J. Shaka, V. Mandelshtam, Mandelshtam, 2000, Journal of magnetic resonance.

Highly resolved double absorption 2D NMR spectra from complex severely truncated 2D phase-modulated signals by filter-diagonalization-averaging method

A. J. Shaka, Mari A. Smith, V. Mandelshtam, 1999 .

Application of the filter diagonalization method to one- and two-dimensional NMR spectra

A. J. Shaka, V. Mandelshtam, Mandelshtam, 1998, Journal of magnetic resonance (San Diego, Calif. 1997 : Print).

Two‐dimensional HSQC NMR spectra obtained using a self‐compensating double pulsed field gradient and processed using the filter diagonalization method

A. J. Shaka, V. Mandelshtam, Haitao Hu, 1998 .

On projection-reconstruction NMR

V. Mandelshtam, C. Ridge, 2009, Journal of biomolecular NMR.

Regularized resolvent transform for direct calculation of 45 degrees projections of 2D J spectra.

A. J. Shaka, V. Mandelshtam, G. S. Armstrong, 2003, Journal of magnetic resonance.

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.

V. Mandelshtam, G. S. Armstrong, B. Ancian, 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

The regularized resolvent transform for processing DOSY spectra

A. J. Shaka, V. Mandelshtam, J. Keeler, 2002 .

Filter diagonalization method for processing PFG NMR data.

Mathias Nilsson, Beau R Martini, Vladimir A Mandelshtam, 2013, Journal of magnetic resonance.

Calculation of the density of resonance states using the stabilization method.

V. Mandelshtam, Mandelshtam, Taylor, 1993, Physical review letters.