Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn–Sham Approach by Diptarka Hait (2835971)

Subjects:

Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn–Sham Approach by Diptarka Hait (2835971)

Subjects:

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”

Phase stability at interfaces (dataset) by J Pitfield (21962924)

Comparison between simulations for all algorithms (success rate <i>versus</i> number of swarm particles). by Rutinaldo Aguiar Nascimento (14259594)

Subjects:

The number of inactive nodes as a function of time steps at higher values of <i>P</i> and <i>α</i> in (a) a random network and (b) a scale-free network. by Waseem Al-Aqqad (14123917)

Risk and density functions for standard relapse from remission condition to disease <i>b</i> condition (similar shapes for standard relapse to disease <i>a</i>). by Benoîte de Saporta (20454662)

Subjects:

Comparison the results with and without Fourier Loss Function for Rain100H. by Chaobing Zheng (20896579)

PSO algorithms flowchart. by Mohammed F. Elnaggar (18297954)

Cohen’s effect size of means of function evaluations on N50E100 in Table 2—Phase I. by Fadi K. Dib (5204807)

Cohen’s effect size of means of function evaluations on N160E210 in Table 8—Phase III. by Fadi K. Dib (5204807)

Cohen’s effect size of means of objective function on N140E200 in Table 6—Phase II. by Fadi K. Dib (5204807)

Cohen’s effect size of means of function evaluations on N100E145 in Table 8—Phase III. by Fadi K. Dib (5204807)

Cohen’s effect size of means of objective function on N175E300 in Table 6—Phase II. by Fadi K. Dib (5204807)

Cohen’s effect size of means of function evaluations on N65E95 in Table 8—Phase III. by Fadi K. Dib (5204807)

Cohen’s effect size of means of function evaluations on N150E300 in Table 2—Phase I. by Fadi K. Dib (5204807)

Cohen’s effect size of means of objective function on N30E63 in Table 6—Phase II. by Fadi K. Dib (5204807)

Cohen’s effect size of means of objective function on N90E130 in Table 6—Phase II. by Fadi K. Dib (5204807)

Cohen’s effect size of means of objective function on N200E400 in Table 2—Phase I. by Fadi K. Dib (5204807)

Cohen’s effect size of means of objective function on N150E300 in Table 2—Phase I. by Fadi K. Dib (5204807)