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Rahul Maitra
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Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications
R Maitra, D Sinha, D Mukherjee
The Journal of Chemical Physics 137 (2), 2012
452012
Fabrication of a hollow sphere N, S co-doped bifunctional carbon catalyst for sustainable fixation of CO 2 to cyclic carbonates
A Ghosh, GN Reddy, MS PK, S Chatterjee, S Bhattacharjee, R Maitra, ...
Green Chemistry 24 (4), 1673-1692, 2022
442022
Generalized antisymmetric ordered products, generalized normal ordered products, ordered and ordinary cumulants and their use in many electron correlation problem
D Sinha, R Maitra, D Mukherjee
Computational and Theoretical Chemistry 1003, 62-70, 2013
292013
Development and pilot molecular applications of the uncoupled state-specific MRCC (UC-SS-MRCC) theory
S Das, D Datta, R Maitra, D Mukherjee
Chemical Physics 349 (1-3), 115-120, 2008
252008
Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations
D Sinha, R Maitra, D Mukherjee
The Journal of Chemical Physics 137 (9), 2012
212012
A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential
R Maitra, Y Akinaga, T Nakajima
The Journal of Chemical Physics 147 (7), 2017
182017
Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning
V Agarawal, S Roy, A Chakraborty, R Maitra
The Journal of Chemical Physics 154 (4), 2021
172021
On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core …
KU Lao, J Jia, R Maitra, RA DiStasio
The Journal of Chemical Physics 149 (20), 2018
142018
Formulation of a dressed coupled-cluster method with implicit triple excitations and benchmark application to hydrogen-bonded systems
S Tribedi, A Chakraborty, R Maitra
Journal of Chemical Theory and Computation 16 (10), 6317-6328, 2020
122020
Iterative quantum phase estimation with variationally prepared reference state
D Halder, VS Prasannaa, V Agarawal, R Maitra
Int. J. Quantum Chem., e27021, 2022
112022
An approximate coupled cluster theory via nonlinear dynamics and synergetics: The adiabatic decoupling conditions
V Agarawal, C Patra, R Maitra
The Journal of Chemical Physics 155 (12), 124115, 2021
112021
Dual exponential coupled cluster theory: Unitary adaptation, implementation in the variational quantum eigensolver framework and pilot applications
D Halder, VS Prasannaa, R Maitra
The Journal of Chemical Physics 157 (17), 2022
102022
Stability analysis of a double similarity transformed coupled cluster theory
V Agarawal, A Chakraborty, R Maitra
The Journal of Chemical Physics 153 (8), 2020
102020
Use of a convenient size-extensive normalization in multi-reference coupled cluster (MRCC) theory with incomplete model space: A novel valence universal MRCC formulation
R Maitra, D Datta, D Mukherjee
Chemical Physics 356 (1-3), 54-63, 2009
102009
Development of a compact Ansatz via operator commutativity screening: Digital quantum simulation of molecular systems
D Mondal, D Halder, S Halder, R Maitra
The Journal of Chemical Physics 159 (1), 2023
9*2023
Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing
R Maitra, T Nakajima
The Journal of Chemical Physics 147 (20), 2017
92017
Aspects of size extensivity in unitary group adapted multi-reference coupled cluster theories: the role of cumulant decomposition of spin-free reduced density matrices
R Maitra, D Sinha, S Sen, D Mukherjee
Theoretical Chemistry Accounts 133, 1-23, 2014
92014
Development of zero-noise extrapolated projective quantum algorithm for accurate evaluation of molecular energetics in noisy quantum devices
S Halder, C Shrikhande, R Maitra
The Journal of Chemical Physics 159 (11), 2023
82023
A hybrid coupled cluster–machine learning algorithm: Development of various regression models and benchmark applications
V Agarawal, S Roy, KK Shrawankar, M Ghogale, S Bharathi, A Yadav, ...
The Journal of Chemical Physics 156 (1), 2022
72022
Machine learning aided dimensionality reduction toward a resource efficient projective quantum eigensolver: Formal development and pilot applications
S Halder, C Patra, D Mondal, R Maitra
The Journal of Chemical Physics 158 (24), 2023
62023
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Articles 1–20