Merge pull request #225 from lipikaparida-web/docs/add-citation

Add CITATION.cff for GBasis journal reference

Author: marco-2023

CITATION.cff

@@ -0,0 +1,48 @@
+cff-version: 1.2.0
+message: "If you use GBasis in your research, please cite the following paper."
+title: "GBasis"
+type: software
+url: "https://github.com/theochem/gbasis"
+license: "LGPL-3.0"
+preferred-citation:
+  type: article
+  title: "GBasis: A Python Library for Evaluating Functions, Functionals, and Integrals Expressed with Gaussian Basis Functions."
+  authors:
+    - family-names: Kim
+      given-names: Taejin D.
+    - family-names: Pujal
+      given-names: Leila
+    - family-names: Richer
+      given-names: Michelle
+    - family-names: van Zyl
+      given-names: Max
+    - family-names: Martínez-González
+      given-names: Marco
+    - family-names: Tehrani
+      given-names: Amir
+    - family-names: Chuiko
+      given-names: Vladislav
+    - family-names: Sánchez-Díaz
+      given-names: Gabriel
+    - family-names: Sanchez
+      given-names: William
+    - family-names: Adams
+      given-names: William
+    - family-names: Huang
+      given-names: X.
+    - family-names: Kelly
+      given-names: Brian D.
+    - family-names: Vöhringer-Martinez
+      given-names: Esteban
+    - family-names: Verstraelen
+      given-names: Toon
+    - family-names: Heidar-Zadeh
+      given-names: Farnaz
+    - family-names: Ayers
+      given-names: Paul W.
+  journal: "The Journal of Chemical Physics"
+  volume: 161
+  issue: 4
+  pages: 042503
+  year: 2024
+  doi: "10.1063/5.0216776"

website/intro.md

@@ -1,14 +1,33 @@
 <!-- #region -->
 # Welcome to GBasis's Documentation!
 
-[Gbasis](https://github.com/theochem/gbasis/) is a free, open-source, and cross-platform Python library designed to help you effortlessly work with Gaussian-type orbitals. Please use the following citation in any publication using Gbasis library:
-
-**"GBasis: A Python Library for Evaluating Functions, Functionals, and
-Integrals Expressed with Gaussian Basis Functions"**,
-Taewon David Kim, Leila Pujal, Maximilian van Zyl, Alireza Tehrani, Michelle Richer, Gabriela
-Sánchez-Díaz, Xiaotian Derrick Yang, Valerii Chuiko, Raymundo Hernández-Esparza, William Adams,
-Xiaomin Huang, Braden D. Kelly, Matthew Chan, Esteban Vöhringer-Martinez, Toon Verstraelen, Farnaz
-Heidar-Zadeh, and Paul W. Ayers
+[GBasis](https://github.com/theochem/gbasis/) is a free, open-source, and cross-platform Python library designed to help you effortlessly work with Gaussian-type orbitals. Please use the following citation in any publication using the GBasis library:
+
+> **GBasis: A Python Library for Evaluating Functions, Functionals, and Integrals Expressed with Gaussian Basis Functions.**  
+> Taewon David Kim, Leila Pujal, Michelle Richer, Maximilian van Zyl, Marco Martínez-González, Alireza Tehrani, Valerii Chuiko, Gabriela Sánchez-Díaz, Wesley Sanchez, William Adams, Xiaomin Huang, Braden D. Kelly, Esteban Vöhringer-Martinez, Toon Verstraelen, Farnaz Heidar-Zadeh, Paul W. Ayers.  
+> *J. Chem. Phys. 161 (4), 042503 (2024).*  
+> https://doi.org/10.1063/5.0216776
+
+
+```bibtex
+@article{Kim2024GBasis,
+  author  = {Kim, Taewon David and Pujal, Leila and Richer, Michelle and
+             van Zyl, Maximilian and Mart{\'\i}nez-Gonz{\'a}lez, Marco and
+             Tehrani, Alireza and Chuiko, Valerii and
+             S{\'a}nchez-D{\'\i}az, Gabriela and Sanchez, Wesley and
+             Adams, William and Huang, Xiaomin and Kelly, Braden D. and
+             V{\"o}hringer-Martinez, Esteban and Verstraelen, Toon and
+             Heidar-Zadeh, Farnaz and Ayers, Paul W.},
+  title   = {{GBasis}: A Python library for evaluating functions, functionals,
+             and integrals expressed with Gaussian basis functions},
+  journal = {The Journal of Chemical Physics},
+  volume  = {161},
+  number  = {4},
+  pages   = {042503},
+  year    = {2024},
+  doi     = {10.1063/5.0216776}
+}
+```
 
 The GBasis source code is hosted on [GitHub](https://github.com/theochem/gbasis/) and is released under the [GNU LESSER GENERAL PUBLIC LICENSE](https://github.com/theochem/gbasis/blob/master/LICENSE). We welcome any contributions to the GBasis library in accordance with our [Code of Conduct](https://github.com/theochem/gbasis/blob/master/CODE_OF_CONDUCT.md); please see our [Contributing Guidelines](https://github.com/theochem/gbasis/blob/master/CONTRIBUTING.md). Please report any issues you encounter while using GBasis library on [GitHub Issues](https://github.com/theochem/gbasis/issues). For further information and inquiries please contact us at qcdevs@gmail.com.