Aleksander P. Woźniak

TL;DR: In this article, the authors explore the increasingly popular method of expanding the examined system into a linear combination of atomic orbitals and present a novel systematic scheme for constructing an optimal Gaussian basis set suitable for the description of excited and continuum atomic or molecular states.

TL;DR: This paper explores the increasingly popular method of expanding the wavefunction of the examined system into a linear combination of atomic orbitals and presents a novel systematic scheme for constructing an optimal Gaussian basis set suitable for the description of excited and continuum atomic or molecular states.

TL;DR: In this article , the effects of full electronic correlation on high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity were investigated using quantum chemistry methods coupled to Gaussian basis sets.

TL;DR: In this paper, a decoding of atomic and ionic radii of transition metals in terms of energy response against changes in electron number and external potential variation has been considered, and the energy as a functional of electron density by means of its derivatives is linked to response density and the electron detachment process.

TL;DR: This work examines an alternative, never yet explored, way of affecting the HT efficiency by forcing electron holes to localize on pyrimidine bases and move between them and indicates a particularly high efficiency of cytosine→cytosine hopping, which is about ten times higher than the G → G hopping.