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Rahul Maitra - Publications

Affiliations: 
2018- Indian Institute of Technology Bombay, Mumbai, Maharashtra, India 
Area:
Quantum Chemistry
Website:
https://rahulmaitra.wixsite.com/theomolscilab
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23 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
2023 Halder S, Shrikhande C, Maitra R. Development of zero-noise extrapolated projective quantum algorithm for accurate evaluation of molecular energetics in noisy quantum devices. The Journal of Chemical Physics. 159. PMID 37724729 DOI: 10.1063/5.0166433  0.774
2023 Chakraborty A, Maitra R. Fixing the catastrophic breakdown of single reference coupled cluster theory for strongly correlated systems: Two paradigms toward the implicit inclusion of high-rank correlation with low-spin channels. The Journal of Chemical Physics. 159. PMID 37428053 DOI: 10.1063/5.0146765  0.802
2023 Mondal D, Halder D, Halder S, Maitra R. Development of a compact Ansatz via operator commutativity screening: Digital quantum simulation of molecular systems. The Journal of Chemical Physics. 159. PMID 37403860 DOI: 10.1063/5.0153182  0.752
2023 Halder S, Patra C, Mondal D, Maitra R. Machine learning aided dimensionality reduction toward a resource efficient projective quantum eigensolver: Formal development and pilot applications. The Journal of Chemical Physics. 158. PMID 37347127 DOI: 10.1063/5.0155009  0.704
2022 Halder D, Prasannaa VS, Maitra R. Dual exponential coupled cluster theory: Unitary adaptation, implementation in the variational quantum eigensolver framework and pilot applications. The Journal of Chemical Physics. 157: 174117. PMID 36347701 DOI: 10.1063/5.0114688  0.813
2022 Patra C, Agarawal V, Halder D, Chakraborty A, Mondal D, Halder S, Maitra R. A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 36314661 DOI: 10.1002/cphc.202200633  0.689
2022 Chakraborty A, Tribedi S, Maitra R. A double exponential coupled cluster theory in the fragment molecular orbital framework. The Journal of Chemical Physics. 156: 244117. PMID 35778082 DOI: 10.1063/5.0090115  0.793
2022 Agarawal V, Roy S, Shrawankar KK, Ghogale M, Bharathi S, Yadav A, Maitra R. A hybrid coupled cluster-machine learning algorithm: Development of various regression models and benchmark applications. The Journal of Chemical Physics. 156: 014109. PMID 34998340 DOI: 10.1063/5.0072250  0.5
2021 Agarawal V, Patra C, Maitra R. An approximate coupled cluster theory via nonlinear dynamics and synergetics: The adiabatic decoupling conditions. The Journal of Chemical Physics. 155: 124115. PMID 34598582 DOI: 10.1063/5.0060087  0.813
2021 Agarawal V, Roy S, Chakraborty A, Maitra R. Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning. The Journal of Chemical Physics. 154: 044110. PMID 33514076 DOI: 10.1063/5.0037090  0.818
2020 Agarawal V, Chakraborty A, Maitra R. Stability analysis of a double similarity transformed coupled cluster theory. The Journal of Chemical Physics. 153: 084113. PMID 32872847 DOI: 10.1063/5.0018383  0.829
2020 Tribedi S, Chakraborty A, Maitra R. Formulation of a Dressed Coupled Cluster Method with Implicit Triple Excitations and Benchmark Application to Hydrogen-Bonded Systems. Journal of Chemical Theory and Computation. PMID 32794747 DOI: 10.1021/Acs.Jctc.0C00736  0.79
2018 Lao KU, Jia J, Maitra R, DiStasio RA. On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions. The Journal of Chemical Physics. 149: 204303. PMID 30501247 DOI: 10.1063/1.5051458  0.457
2018 Maitra R. Dynamically adjustable spin component scaled second order Møller-Plesset perturbation theory for strongly correlated molecular systems. The Journal of Chemical Physics. 149: 204107. PMID 30501233 DOI: 10.1063/1.5051516  0.358
2017 Maitra R, Nakajima T. Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing. The Journal of Chemical Physics. 147: 204108. PMID 29195294 DOI: 10.1063/1.5000571  0.701
2017 Maitra R, Akinaga Y, Nakajima T. A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential. The Journal of Chemical Physics. 147: 074103. PMID 28830188 DOI: 10.1063/1.4985916  0.691
2014 Maitra R, Sinha D, Sen S, Mukherjee D. Aspects of size extensivity in unitary group adapted multi-reference coupled cluster theories: the role of cumulant decomposition of spin-free reduced density matrices Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1522-5  0.608
2013 Maitra R, Sinha D, Mukherjee D. Erratum: “Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications” [J. Chem. Phys. 137, 024105 (2012)] The Journal of Chemical Physics. 139: 229903. DOI: 10.1063/1.4847835  0.642
2013 Sinha D, Maitra R, Mukherjee D. Generalized antisymmetric ordered products, generalized normal ordered products, ordered and ordinary cumulants and their use in many electron correlation problem Computational and Theoretical Chemistry. 1003: 62-70. DOI: 10.1016/J.Comptc.2012.09.035  0.612
2012 Sinha D, Maitra R, Mukherjee D. Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations. The Journal of Chemical Physics. 137: 094104. PMID 22957552 DOI: 10.1063/1.4747702  0.672
2012 Maitra R, Sinha D, Mukherjee D. Unitary group adapted state-specific multi-reference coupled cluster theory: formulation and pilot numerical applications. The Journal of Chemical Physics. 137: 024105. PMID 22803526 DOI: 10.1063/1.4731341  0.648
2009 Maitra R, Datta D, Mukherjee D. Use of a convenient size-extensive normalization in multi-reference coupled cluster (MRCC) theory with incomplete model space: A novel valence universal MRCC formulation Chemical Physics. 356: 54-63. DOI: 10.1016/J.Chemphys.2008.12.008  0.764
2008 Das S, Datta D, Maitra R, Mukherjee D. Development and pilot molecular applications of the uncoupled state-specific MRCC (UC-SS-MRCC) theory Chemical Physics. 349: 115-120. DOI: 10.1016/J.Chemphys.2008.03.012  0.789
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