49 results on '"Pal, Sourav"'
Search Results
2. Development of design algorithm using MATLAB for flying wing UAVs
3. Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides
4. Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states
5. Relativistic coupled-cluster investigation of parity (P) and time-reversal (T ) symmetry violations in HgF
6. Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential
7. Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study
8. Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework
9. Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method
10. A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples
11. Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of $\text{CO}_{2}^{-}$CO2− anion
12. Ground state of naphthyl cation: Singlet or triplet?
13. Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods
14. A Lagrange multiplier approach for excited state properties through intermediate Hamiltonian formulation of Fock space multireference coupled-cluster theory
15. Study of interatomic Coulombic decay of Ne(H2O)n (n = 1,3) clusters using equation-of-motion coupled-cluster method
16. Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: An efficient and novel approach
17. Vibrational multi-reference coupled cluster theory in bosonic representation
18. Equation-of-motion coupled-cluster method for the study of shape resonance
19. First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach
20. Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies
21. Electronic structure of spherical quantum dots using coupled cluster method
22. Interaction induced shifts in O–H stretching frequency of water in halide-ion water clusters: A microscopic approach with a bond descriptor
23. Minimum magnetizability principle
24. Correlated complex independent particle potential for calculating electronic resonances
25. Analytically continued Fock space multireference coupled-cluster theory: Application to the Πg2 shape resonance in e-N2 scattering
26. A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory
27. Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances
28. Density functional response approach for the linear and nonlinear electric properties of molecules
29. A study of electronic and bonding properties of Sn doped Lin clusters and aluminum based binary clusters through electron localization function
30. Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge
31. Erratum: “Development of an efficient linear response approach to the Hilbert space multireference coupled-cluster theory” [J. Chem. Phys. 114, 1981 (2001)]
32. Dipole moments of adiabatic excited states using the Fock space multireference coupled-cluster analytic response approach
33. Development of an efficient linear response approach to the Hilbert space multi-reference coupled-cluster theory
34. On non-negativity of Fukui function indices. II
35. Erratum: “Z-vector formalism for the Fock space multireference couple cluster method: Elimination of the response of the highest valence sector amplitudes” [J. Chem. Phys. 111, 3832 (1999)]
36. Z-vector formalism for the Fock space multireference coupled cluster method: Elimination of the response of the highest valence sector amplitudes
37. Adiabatic states of ozone using Fock space multireference coupled cluster method
38. Size-extensive calculations of static structure factors from the coupled cluster singles and doubles model
39. On non-negativity of Fukui function indices
40. Multireference coupled cluster based analytic response approach for evaluating molecular properties: Some pilot results
41. Lithium bonding interaction in H2CY⋯LiF (Y=O,S) complexes: A theoretical probe
42. Correlated static‐exchange interaction for electron–molecule scattering: Case study for LiH and H2
43. State-selective multireference coupled-cluster theory: In pursuit of property calculation
44. Nonlinear molecular properties using biorthogonal response approach
45. Influence of bond length variation on correlated static exchange potential: A case study in e−–N2 scattering
46. Correlated static–exchange interaction calculation for e−+N2 scattering using the coupled cluster techniquea)
47. Multireference coupled cluster calculations on CH2+
48. Multireference coupled‐cluster method: Ionization potentials and excitation energies for ketene and diazomethane
49. Molecular applications of multireference coupled‐cluster methods using an incomplete model space: Direct calculation of excitation energies
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