34 results on '"Chaudhuri, Rajat K."'
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2. Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basis
3. A Fock space coupled cluster based probing of the single- and double-ionization profiles for the poly-cyclic aromatic hydrocarbons and conjugated polyenes.
4. Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals.
5. Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinors.
6. A simplified account of the correlation effects to bond breaking processes: The Brillouin-Wigner perturbation theory using a multireference formulation.
7. Time dependent variation perturbation calculation of two-photon transition probability and hyperfine shift in hydrogen atom under plasma environment
8. Description of the Methylene Amidogene Radical and Its Anion with an Economical Treatment of Correlation Effects Using Density Functional Theory Orbitals
9. A confinement induced spectroscopic study of noble gas atoms using equation of motion architecture: Encapsulation within fullerene's voids.
10. Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure.
11. Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfaces.
12. Multireference perturbation theory with improved virtual orbitals for radicals: More degeneracies, more problems
13. Theoretical Studies of the Ground and Excited State Structures of Stilbene
14. Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas
15. Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers
16. Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degree
17. Four-Component Relativistic State-Specific Multireference Perturbation Theory with a Simplified Treatment of Static Correlation
18. Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure
19. Communication: Viewing the ground and excited electronic structures of platinum and its ion through the window of relativistic coupled cluster method
20. A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds
21. Taming the Electronic Structure of Diradicals through the Window of Computationally Cost Effective Multireference Perturbation Theory
22. State‐specific multireference perturbation theory: development and present status
23. Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas.
24. Description of C 2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degree.
25. Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: Application to the ground state single-bond dissociation
26. State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2,and N2
27. Profiling the binding motif between Be and Mg in the ground state via a single-reference coupled cluster method
28. Taming the Electronic Structure of Diradicals through the Window of Computationally Cost Effective Multireference Perturbation Theory.
29. State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2.
30. State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2.
31. Revisiting the ‘ cis- effect’ in 1,2-difluoro derivatives of ethylene and diazene using ab initio multireference methods.
32. Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations.
33. Multireference perturbation theory with improved virtual orbitals for radicals: More degeneracies, more problems.
34. State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2.
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