21 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. Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P4 and adamantane
11. Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study.
12. Multiple perturbation approach: bounds to various order response
13. Fock-space multireference coupled-cluster theory. fourth-order corrections to the ionization potential
14. Multi-reference coupled-cluster methods for ionization potentials with partial inclusion of triple excitations
15. Multireference coupled-cluster methods using an incomplete model space: Application to ionization potentials and excitation energies of formaldehyde
16. An extended coupled-cluster functional for molecular properties: study of an analytical and numerical approach
17. Studies on diacetylene complexes with water and ammonia
18. Structure, energetics and bonding of diacetylene complexes with hydrogen fluoride. A theoretical investigation
19. Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities.
20. Extended coupled-cluster approach for magnetizabilities of small molecules
21. Corrigendum to “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities” [Chem. Phys. Lett. 635 (2015) 168–173].
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