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Journal of Chemical Theory and Computation|June 14, 2018
Response Formalism within Full Configuration Interaction Quantum Monte Carlo: Static Properties and Electrical ResponsePradipta Kumar Samanta, Nick S Blunt, George H BoothPhysical Chemistry Chemical Physics : PCCP|November 26, 2016
Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H2O2 → H2O + OHThanja Lamberts, Pradipta Kumar Samanta, Andreas Köhn, et al.The Journal of Chemical Physics|July 13, 2005
Development of a relaxation-inducing cluster expansion formalism for treating strong relaxation and correlation effectsDebasis Jana, Debashis MukherjeeThe Journal of Chemical Physics|February 10, 2011
The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theoryDipayan Datta, Debashis MukherjeeThe Journal of Chemical Physics|July 23, 2004
Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. III. Systems of noninteracting electronsWerner Kutzelnigg, Debashis MukherjeeThe Journal of Chemical Physics|August 7, 2009
An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applicationsDipayan Datta, Debashis MukherjeeThe Journal of Chemical Physics|July 23, 2004
Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. IV. Perturbative analysisWerner Kutzelnigg, Debashis MukherjeeThe Journal of Chemical Physics|November 6, 2024
Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. I. Wavefunction-based methodsShamik Chanda, Sangita SenThe Journal of Chemical Physics|December 29, 2010
Inclusion of selected higher excitations involving active orbitals in the state-specific multireference coupled-cluster theorySanghamitra Das, Mihály Kállay, Debashis MukherjeeThe Journal of Chemical Physics|September 11, 2012
Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitationsDebalina Sinha, Rahul Maitra, Debashis MukherjeePageof 7