Sandeep Sharma

发表

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, Ali Alavi, Ning Zhang, 2020, The journal of physical chemistry letters.

Excited states using semistochastic heat-bath configuration interaction.

Sandeep Sharma, C. Umrigar, A. Holmes, 2017, The Journal of chemical physics.

Improved Speed and Scaling in Orbital Space Variational Monte Carlo.

Iliya Sabzevari, Sandeep Sharma, Sandeep Sharma, 2018, Journal of chemical theory and computation.

A ug 2 01 9 An accelerated linear method for optimizing non-linear wavefunctions in variational Monte

Sandeep Sharma, Ankit Mahajan, Iliya Sabzevari, 2019 .

Subluminal light propagation through an ultracold atom–molecule coupled resonant medium

T. N. Dey, Sandeep Sharma, B. Deb, 2015 .

Intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model

George H. Booth, G. Chan, Sandeep Sharma, 2014, 1402.5622.

Efficient multireference perturbation theory without high-order reduced density matrices.

N. S. Blunt, Sandeep Sharma, N. Blunt, 2020, The Journal of chemical physics.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer.

George H. Booth, G. Chan, Sandeep Sharma, 2014, The Journal of chemical physics.

Quasi-degenerate perturbation theory using matrix product states.

Ali Alavi, Guillaume Jeanmairet, Sandeep Sharma, 2016, The Journal of chemical physics.

Full-valence density matrix renormalisation group calculations on meta-benzyne based on unrestricted natural orbitals. Revisit of seamless continuation from broken-symmetry to symmetry-adapted models for diradicals

Sandeep Sharma, S. Yamada, M. Okumura, 2017 .

UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters

Sandeep Sharma, S. Yamada, Y. Takano, 2017 .

Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics.

Frank Neese, Garnet Kin-Lic Chan, Kantharuban Sivalingam, 2014, Nature chemistry.

Generating quantum superposition states in a levitated nanodiamond

Sandeep Sharma, M. Bhattacharya, 2020 .

UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)2O2(NHCHCO2)4: Scope and applicability of Heisenberg model

Sandeep Sharma, Takashi Kawakami, Takahito Nakajima, 2018, J. Comput. Chem..

The ab-initio density matrix renormalization group in practice.

Garnet Kin-Lic Chan, Naoki Nakatani, Roberto Olivares-Amaya, 2015, The Journal of chemical physics.

Spin-adapted density matrix renormalization group algorithms for quantum chemistry.

Garnet Kin-Lic Chan, Sandeep Sharma, G. Chan, 2012, The Journal of chemical physics.

Near exact excited states of the carbon dimer in a quadruple-zeta basis using a general non-Abelian density matrix renormalization group algorithm

Sandeep Sharma, 2014, 1408.5868.

Combining Internally Contracted States and Matrix Product States To Perform Multireference Perturbation Theory.

Ali Alavi, Gerald Knizia, Sheng Guo, 2016, Journal of chemical theory and computation.

Fast exchange with Gaussian basis set using robust pseudospectral method

G. Beylkin, Sandeep Sharma, Alec F. White, 2022, 2207.04636.

Fast Exchange with Gaussian Basis Set Using Robust Pseudospectral Method.

G. Beylkin, Sandeep Sharma, Alec F. White, 2022, Journal of chemical theory and computation.

An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo.

Sandeep Sharma, Ankit Mahajan, Iliya Sabzevari, 2019, The Journal of chemical physics.

Relativistic Semistochastic Heat-Bath Configuration Interaction.

Sandeep Sharma, Xubo Wang, 2023, Journal of chemical theory and computation.

The density matrix renormalization group in quantum chemistry.

Sandeep Sharma, G. Chan, Sandeep Sharma, 2011, Annual review of physical chemistry.

PySCF: the Python‐based simulations of chemistry framework

Sandeep Sharma, Zhendong Li, Garnet Kin-Lic Chan, 2018 .

Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates

A. Alavi, Sandeep Sharma, O. Gunnarsson, 2021, Nature Physics.

Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates

A. Alavi, Sandeep Sharma, O. Gunnarsson, 2021, Nature Physics.

New superexchange paths due to breathing-enhanced hopping in corner-sharing cuprates

Ali Alavi, Giovanni Li Manni, Olle Gunnarsson, 2018, 1803.07026.

Symmetry-Projected Jastrow Mean-Field Wave Function in Variational Monte Carlo.

Ankit Mahajan, Sandeep Sharma, Sandeep Sharma, 2019, The journal of physical chemistry. A.

Faster and lower scaling orbital-space Variational Monte Carlo

Sandeep Sharma, Iliya Sabzevari, 2018, 1807.10633.

Cheap and Near Exact CASSCF with Large Active Spaces.

Adam A Holmes, Sandeep Sharma, Sandeep Sharma, 2017, Journal of chemical theory and computation.

Recent developments in the PySCF program package.

Timothy C. Berkelbach, George H. Booth, N. S. Blunt, 2020, The Journal of chemical physics.

Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method.

Ali Alavi, Guillaume Jeanmairet, Sandeep Sharma, 2016, The Journal of chemical physics.

Nuclear Gradients of Near-Exact Complete Active Space Self-Consistent Field Wave Functions

Joonho Lee, Sandeep Sharma, James E. T. Smith, 2022 .

Near-exact nuclear gradients of complete active space self-consistent field wave functions.

Joonho Lee, Sandeep Sharma, James E. T. Smith, 2022, The Journal of chemical physics.

Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources.

Seunghoon Lee, G. Chan, Sandeep Sharma, 2021, Journal of chemical theory and computation.

Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte Carlo.

Sandeep Sharma, Ankit Mahajan, 2020, The Journal of chemical physics.

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, K. B. Whaley, M. Head‐Gordon, 2020, The journal of physical chemistry letters.

Fast semistochastic heat-bath configuration interaction.

Matthew Otten, C J Umrigar, Adam A Holmes, 2018, The Journal of chemical physics.

PySCF: the Python‐based simulations of chemistry framework

Sandeep Sharma, Garnet Kin-Lic Chan, Zhendong Li, 2017, 1701.08223.

Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states.

Ali Alavi, Sandeep Sharma, A. Alavi, 2015, The Journal of chemical physics.

Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states.

Garnet Kin-Lic Chan, Sandeep Sharma, G. Chan, 2014, The Journal of chemical physics.

Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States.

Takeshi Yanai, Yuki Kurashige, Masaaki Saitow, 2017, Journal of chemical theory and computation.

Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory.

Ali Alavi, C J Umrigar, Sandeep Sharma, 2016, Journal of chemical theory and computation.

Multireference configuration interaction and perturbation theory without reduced density matrices.

Sandeep Sharma, N. Blunt, Ankit Mahajan, 2019, The Journal of chemical physics.

A general non-Abelian density matrix renormalization group algorithm with application to the C2 dimer.

Sandeep Sharma, 2015, The Journal of chemical physics.

Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo.

Joonho Lee, Sandeep Sharma, Ankit Mahajan, 2022, The Journal of chemical physics.

Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave Functions.

Sandeep Sharma, Ankit Mahajan, 2021, Journal of chemical theory and computation.

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

George H. Booth, Kiel T. Williams, Yuan Yao, 2019, Physical Review X.

Highly accurate ab-initio thermochemistry via real-space quantum Monte Carlo: Benzene

Sandeep Sharma, Iliya Sabzevari, 2021, 2107.09122.

Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer

Yuan Yao, Sandeep Sharma, C. Umrigar, 2019, Physical Review Research.

Controlled light shaping via phase-dependent electromagnetically induced transparency

Sandeep Sharma, T. Dey, 2018, Journal of the Optical Society of America B.

Efficient Evaluation of Two-Center Gaussian Integrals in Periodic Systems.

G. Beylkin, Sandeep Sharma, 2021, Journal of chemical theory and computation.

One-Step Treatment of Spin-Orbit Coupling and Electron Correlation in Large Active Spaces.

Sandeep Sharma, Sandeep Sharma, B. Mussard, 2017, Journal of chemical theory and computation.

Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction.

Paul M Zimmerman, Matthew Otten, C J Umrigar, 2018, The journal of physical chemistry. A.

Stochastic perturbation theory to correct non-linearly parametrized wavefunctions.

Sandeep Sharma, 2018, 1803.04341.

Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave Functions.

Sandeep Sharma, Ankit Mahajan, 2021, Journal of chemical theory and computation.

Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction

Sandeep Sharma, M. Raschke, H. Altug, 2023, Proceedings of the National Academy of Sciences of the United States of America.

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

Connie W. Gao, Colin A. Grambow, Ryan J. Gillis, 2023, International Journal of Chemical Kinetics.

A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states

G. Chan, Sandeep Sharma, 2014 .

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Michael W. Schmidt, Shawn T. Brown, Igor Ying Zhang, 2014, Molecular Physics.

Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals.

Timothy C. Berkelbach, Sandeep Sharma, Ankit Mahajan, 2023, Journal of chemical theory and computation.

Response properties in phaseless auxiliary field quantum Monte Carlo.

Joonho Lee, D. Reichman, Sandeep Sharma, 2023, The Journal of chemical physics.

The ab-initio density matrix renormalization group in practice.

G. Chan, Sandeep Sharma, N. Nakatani, 2015, The Journal of chemical physics.

Multireference configuration interaction and perturbation theory without reduced density matrices.

N. S. Blunt, Sandeep Sharma, Ankit Mahajan, 2019, The Journal of chemical physics.

An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo.

Sandeep Sharma, Ankit Mahajan, Iliya Sabzevari, 2019, The Journal of chemical physics.

The Python-based Simulations of Chemistry Framework (PySCF)

Timothy C. Berkelbach, George H. Booth, N. S. Blunt, 2018 .