Issue Date | Title | Author(s) |

Aug-2006 | Ab initio description of the ground and excited states of cyanogen isomers | *Chaudhuri, R. K; Krishnamachari, S. L. N. G; Freed, K. F* |

Aug-2011 | Application of an efficient multireference approach to free-base porphin and metalloporphyrins: Ground, excited, and positive ion states | *Chaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S* |

Feb-1998 | Application of the effective valence shell Hamiltonian method to accurate estimation of oscillator strengths and excitation energies of Mg-like ions | *Chaudhuri, R. K; Das, B. P; Freed, K. F* |

Aug-2001 | Characterization of the bent F-state of the CaOh radical by the H-v | *Chaudhuri, R. K; Freed, K. F; Abrash, S. A; Potts, D. M* |

Apr-2005 | Comparison of low-order multireference many-body perturbation theories | *Chaudhuri, R. K; Freed, K. F; Hose, G; Piecuch, P; Kowalski, K; Wloch, M; Chattopadhyay, S; Mukherjee, D; Rolik, Z; Szabados, A; Tóth, G; Surján, P. R* |

22-Sep-2003 | A critical analysis of the ground and excited electronic states of transition metal nitrides using the relativistic effective Hamiltonian method | *Chaudhuri, R. K; Freed, K. F* |

Jun-2000 | Determination of conformational energy differences of propynlidyne isomers using the effective valence shell Hamiltonian method | *Chaudhuri, R. K; Majumder, S; Freed, K. F* |

Jan-2005 | Electronic structure of the calcium monohydroxide radical | *Taylor, C. M; Chaudhuri, R. K; Freed, K. F* |

Dec-1998 | Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method | *Chaudhuri, R. K; Stevens, J. E; Freed, K. F* |

Apr-2005 | Generation of potential energy curves for the X-1Sigma (+) g, B-1 Delta (+) (g), and B' (1) states of C-2 using the effective valence shell Hamiltonian method | *Chaudhuri, R. K; Freed, K. F* |

Apr-2011 | Geometry Optimization of Radicaloid Systems Using Improved Virtual Orbital-Complete Active Space Configuration Interaction (IVO-CASCI) Analytical Gradient Method | *Chattopadhyay, S; Chaudhuri, R. K; Freed, K. F* |

Mar-2007 | Geometry optimization using improved virtual orbitals: A complete active space numerical gradient approach | *Chaudhuri, R. K; Freed, K. F* |

Jan-2010 | Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method | *Chaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Freed, K. F* |

Apr-2008 | Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory | *Chaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Sinha Mahapatra, U* |

Oct-2005 | Quadratic Padé approximants and the intruder state problem of multireference perturbation methods | *Perrine, T. M; Chaudhuri, R. K; Freed, K. F* |

Aug-2008 | Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approach | *Chaudhuri, R. K; Hammond, J. R; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S* |

May-2005 | Relativistic effective valence shell Hamiltonian method: Excitation and ionization energies of heavy metal atoms | *Chaudhuri, R. K; Freed, K. F* |

Apr-2012 | Theoretical aids in screening candidates for atomic clocks: Illustration for Yb II | *Chaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S* |

3-Oct-2013 | Theoretical Studies of the Ground and Excited State Structures of Stilbene | *Chaudhuri, R. K; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S* |