25 results on '"Pal, Sourav"'
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2. Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P4 and adamantane
3. Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn–Sham approach for calculation of dipole–quadrupole polarizability
4. Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory
5. Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction
6. Dipole moments and polarizabilities of some small radicals using constrained variational response to Fock-space multi-reference coupled-cluster theory
7. A fully relaxed extended coupled-cluster approach for molecular properties
8. Molecular property calculations for excited states using a multireference coupled-cluster approach
9. Dipole moments of open-shell radicals using an analytic linear response approach in the Fock space multi-reference coupled cluster method
10. Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study
11. Corrigendum to “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities” [Chem. Phys. Lett. 635 (2015) 168–173]
12. Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities
13. Extended coupled-cluster approach for magnetizabilities of small molecules
14. Study of constant term for electron–molecule scattering: F2, H2CO and H2O target examples
15. An extended coupled-cluster functional for molecular properties: study of an analytical and numerical approach
16. Structure, energetics and bonding of diacetylene complexes with hydrogen fluoride. A theoretical investigation
17. Studies on diacetylene complexes with water and ammonia
18. Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P4 and adamantane
19. Implementation of a stationary coupled-cluster response method
20. Fock-space multireference coupled-cluster theory. fourth-order corrections to the ionization potential
21. Difference in the energies of interactions at the binding sites in protein structures
22. Multiple perturbation approach: bounds to various order response
23. Study of constant term for electron–molecule scattering: F 2, H 2CO and H 2O target examples
24. Multi-reference coupled-cluster methods for ionization potentials with partial inclusion of triple excitations
25. Multireference coupled-cluster methods using an incomplete model space: Application to ionization potentials and excitation energies of formaldehyde
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