The electronic polarization energies, P 1⁄4 Pþ þ P , of a perylenetetracarboxylic acid dianhydride (PTCDA) cation and anion in a crystalline thin film on a metallic substrate are computed and… (More)

Fluorescence line shapes and cooperative spontaneous emission in disordered one-dimensional molecular aggregates are calculated using closed expressions derived by applying the method of optimal… (More)

We consider a one-dimensional lattice model with the nearest-neighbour interaction V1 and the next-nearest-neighbour interaction V2 with filling factor 1/2 at zero temperature. The particles are… (More)

We consider a one-dimensional lattice model with the nearest-neighbor interaction V1 and the next-nearest neighbor interaction V2 with filling factor 1/2 at zero temperature. The particles are… (More)

We consider 2D gas of spinless fermions with the Coulomb and the short range interactions on a square lattice at T = 0. Using exact diagonalization technique we study finite clusters up to 16… (More)

A fast, low memory cost, Krylov-space-based algorithm is proposed for the diagonalization of large Hamiltonian matrices required in time-dependent Hartree–Fock ~TDHF! and adiabatic time-dependent… (More)

A low-cost method for computing excited-state adiabatic surfaces, which totally avoids the calculation of the excited-state many-electron wavefunctions, and scales favorably with molecular size is… (More)

Excited-state potentials of a short protonated Schiff base cation which serves as a model for the photoisomerization of retinal are computed by combining a semi-empirical ground-state adiabatic… (More)