Prof. A Shukla

Areas Of Expertise

• Electronic structure
• Optical properties
• Polymers
• 42.65-k
• 78.20.Bh
• 78.30.Jw
• Conjugated polymers
• Electron-correlation effects
• Nonlinear optics two-photon absorption
• Organic semiconductors based on conjugated molecules
• Other conjugated and/or conducting polymers
• Semi-empirical models and model calculations
• Organic semi-conductors based on conjugated molecules (not polymers) (anthracenes
• perylenes
• etc.)
• Semi-emprical models and model calculations
• Anharmonic potential
• Bose-Einstein condensation
• Gross-Pitaevskii equation
• Numerical solutions
• Hartree-Fock equation
• Trapped Fermi gases
• CNDO/INDO models
• Hartree-Fock method
• Molecular orbitals
• Self-consistent field approach
• Borozene
• Optical properties
• Aromaticity
• Semi-empirical models
• Boron clusers
• Benzene
• Ring
• Self-consistent field approach P-P-P model hamiltonian