# Imaginary time density functional calculation of ground states for second-row atoms using CWDVR approach

## TL;DR

This paper introduces a CWDVR numerical method to solve the imaginary time Kohn-Sham equations for second-row atoms, providing accurate ground state calculations that align well with existing data.

## Contribution

The paper presents a novel CWDVR approach for solving imaginary time Kohn-Sham equations, enabling efficient and accurate ground state computations for second-row atoms.

## Key findings

- Results agree well with existing data
- Method is effective for second-row atoms
- Calculations performed using Mathematica 7.0

## Abstract

We have developed the Coulomb wave function discrete variable representation (CWDVR) method to solve the imaginary time dependent Kohn - Sham equation on the many - electronic second row atoms. The imaginary time dependent Kohn - Sham equation is numerically solved using the CWDVR method. We have presented that the results of calculation for second row Li, Be, B, C, N, O and F atoms are in good agreement with other best available values using the Mathematica 7.0 programm.