46 results on '"Pal, Sourav"'
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2. Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states.
3. Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF.
4. Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential.
5. Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework.
6. Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method.
7. A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples.
8. Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion.
9. Ground state of naphthyl cation: Singlet or triplet?
10. Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods.
11. Study of interatomic Coulombic decay of Ne(H2O)n (n = 1,3) clusters using equation-of-motion coupled-cluster method.
12. Equation-of-motion coupled-cluster method for the study of shape resonance.
13. First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach.
14. Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies.
15. Electronic structure of spherical quantum dots using coupled cluster method.
16. Interaction induced shifts in O–H stretching frequency of water in halide-ion water clusters: A microscopic approach with a bond descriptor.
17. Correlated complex independent particle potential for calculating electronic resonances.
18. Analytically continued Fock space multireference coupled-cluster theory: Application to the 2Πg shape resonance in e-N2 scattering.
19. A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory.
20. Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances.
21. Density functional response approach for the linear and nonlinear electric properties of molecules.
22. A study of electronic and bonding properties of Sn doped Li[sub n] clusters and aluminum based binary clusters through electron localization function.
23. Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge.
24. A diabatic states of ozone using Fock space multireference coupled clusters method.
25. On non-negativity of Fukui function indices.
26. Multireference coupled cluster based analytic response approach for evaluating molecular...
27. Correlated static-exchange interaction for electron–molecule scattering: Case study for LiH and H2.
28. Correlated static–exchange interaction calculation for e-+N2 scattering using the coupled cluster techniquea).
29. Multireference coupled-cluster method: Ionization potentials and excitation energies for ketene and diazomethane.
30. Molecular applications of multireference coupled-cluster methods using an incomplete model space: Direct calculation of excitation energies.
31. State-selective multireference coupled-cluster theory: In pursuit of property calculation.
32. Nonlinear molecular properties using biorthogonal response approach.
33. Lithium bonding interaction in H[sub 2]CY...LiF (Y=O,S) complexes: A theoretical probe.
34. Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study.
35. Minimum magnetizability principle.
36. Influence of bond length variation on correlated static exchange potential: A case study in e-–N2 scattering.
37. Multireference coupled cluster calculations on CH2+.
38. A Lagrange multiplier approach for excited state properties through intermediate Hamiltonian formulation of Fock space multireference coupled-cluster theory.
39. Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: An efficient and novel approach.
40. Vibrational multi-reference coupled cluster theory in bosonic representation.
41. Erratum: “Development of an efficient linear response approach to the Hilbert space multireference coupled-cluster theory” [J. Chem. Phys. 114, 1981 (2001)].
42. Dipole moments of adiabatic excited states using the Fock space multireference coupled-cluster analytic response approach.
43. Development of an efficient linear response approach to the Hilbert space multi-reference coupled-cluster theory.
44. On non-negativity of Fukui function indices. II.
45. Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO₂⁻ anion.
46. Analytically continued Fock space multireference coupled-cluster theory: application to the 2Pi(g) shape resonance in e-N2 scattering.
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