Synthesis, DFT calculations, DNA interaction, and antimicrobial studies of some mixed ligand complexes of oxalic acid and Schiff base trimethoprim with various metal …
Mixed ligand metal complexes are synthesized from oxalic acid with Schiff base, and the
Schiff base was obtained from trimethoprim and acetylacetone. The synthesized complexes …
Schiff base was obtained from trimethoprim and acetylacetone. The synthesized complexes …
Enhancement models of momentum densities of annihilating electron-positron pairs: The many-body picture of natural geminals
The correlated motion of a positron surrounded by electrons is a fundamental many-body
problem. We approach this by modeling the momentum density of annihilating electron …
problem. We approach this by modeling the momentum density of annihilating electron …
Semianalytical wavefunctions and Kohn–Sham exchange-correlation potentials for two-electron atomic systems in two-dimensions
We propose accurate semianalytical wavefunctions for two-electron atomic systems in two-
dimensions. These wavefunctions take into account the cusp conditions arising due to the …
dimensions. These wavefunctions take into account the cusp conditions arising due to the …
Scaling in the correlation energies of two-dimensional artificial atoms
We find an unexpected scaling in the correlation energy of artificial atoms, ie, harmonically
confined two-dimensional quantum dots. The scaling relation is found through extensive …
confined two-dimensional quantum dots. The scaling relation is found through extensive …
Large two-dimensional electronic systems: Self-consistent energies and densities at low cost
We derive a self-consistent local variant of the Thomas-Fermi approximation for (quasi-) two-
dimensional (2D) systems by localizing the Hartree term. The scheme results in an explicit …
dimensional (2D) systems by localizing the Hartree term. The scheme results in an explicit …
[PDF][PDF] This is an electronic reprint of the original article. This reprint may differ from the original in pagination and typographic detail.
This essay introduces the theme of the special issue on the legal practice of granting
'ministerial exceptions' to religious organizations and the relation of this practice to the …
'ministerial exceptions' to religious organizations and the relation of this practice to the …
Self‐consistent total‐energy approximation for electron gas systems
Employing a local formula of Parr [J. Chem. Phys. 93, 3060 (1988)] for the electron–electron
interaction energy, we derive a self‐consistent approximation for the total energy of a …
interaction energy, we derive a self‐consistent approximation for the total energy of a …
[PDF][PDF] Synthesis, DFT Calculations, DNA Interaction, and Antimicrobial Studies of Some Mixed Ligand Complexes of Oxalic Acid and Schiff Base Trimethoprim with …
GT Shinain, MM Jawad - academia.edu
Mixed ligand metal complexes are synthesized from oxalic acid with Schiff base, and the
Schiff base was obtained from trimethoprim and acetylacetone. The synthesized complexes …
Schiff base was obtained from trimethoprim and acetylacetone. The synthesized complexes …
Self-consistent energy approximation for orbital-free density-functional theory
Employing a local formula for the electron-electron interaction energy, we derive a self-
consistent approximation for the total energy of a general $ N $-electron system. Our …
consistent approximation for the total energy of a general $ N $-electron system. Our …
Scaling Approaches to Quantum Many-Body Problems
A Odriazola - 2017 - researchportal.tuni.fi
In the present thesis, we will focus on a less studied aspect of Thomas-Fermi theory: the
highly non-trivial scaling relations following from it. The main objective of this thesis is to …
highly non-trivial scaling relations following from it. The main objective of this thesis is to …