Generically, a basis set is a collection of vectors which spans a space in which a problem is solved. In quantum chemistry, the “basis set” usually refers to the set of (nonorthogonal) one-particle functions used to build molecular orbitals.
This application will help you choose among a variety of basis sets and calculate the total count of their gaussian and contracted functions of any molecule of your choice.
This eases out the manual effort in doing lengthy calculations and does the same within seconds.
1. Hover over the periodic table and select the element of your choice.
2. Select the basis set from the dropdown menu.
3. You can do Step 1 from the dropdown menu provided in the box beneath.
4. Click Calculate to get the result.
5. The result page will give you detailed solution to the problem.
HTML | CSS | JAVASCRIPT
Developed by: Sanchit Narang
E-mail : sanchitnarang611@gmail.com
Click Here to view the project.