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 | 45 | 2012 |

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 | 44 | 2022 |

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 | 29 | 2013 |

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 | 25 | 2008 |

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 | 21 | 2012 |

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 | 18 | 2017 |

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 | 17 | 2021 |

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 | 14 | 2018 |

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 | 12 | 2020 |

Iterative quantum phase estimation with variationally prepared reference state D Halder, VS Prasannaa, V Agarawal, R Maitra Int. J. Quantum Chem., e27021, 2022 | 11 | 2022 |

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 | 11 | 2021 |

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 | 10 | 2022 |

Stability analysis of a double similarity transformed coupled cluster theory V Agarawal, A Chakraborty, R Maitra The Journal of Chemical Physics 153 (8), 2020 | 10 | 2020 |

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 | 10 | 2009 |

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 | 9 | 2017 |

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 | 9 | 2014 |

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 | 8 | 2023 |

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 | 7 | 2022 |

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 | 6 | 2023 |