Search results
Results from the WOW.Com Content Network
The Vienna Ab initio Simulation Package, better known as VASP, is a package written primarily in Fortran for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set. [2]
To change this template's initial visibility, the |state= parameter may be used: {{Quantum information | state = collapsed}} will show the template collapsed, i.e. hidden apart from its title bar. {{Quantum information | state = expanded}} will show the template expanded, i.e. fully visible.
To change this template's initial visibility, the |state= parameter may be used: {{Quantum mechanics topics | state = collapsed}} will show the template collapsed, i.e. hidden apart from its title bar. {{Quantum mechanics topics | state = expanded}} will show the template expanded, i.e. fully visible.
This template includes collapsible groups/sections. When it first appears , one of these groups/sections may be set to be visible ("expanded") while the others remain hidden ("collapsed") apart from their titlebars.
[[Category:Quantum mechanics templates]] to the <includeonly> section at the bottom of that page. Otherwise, add <noinclude>[[Category:Quantum mechanics templates]]</noinclude> to the end of the template code, making sure it starts on the same line as the code's last character.
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
Main page; Contents; Current events; Random article; About Wikipedia; Contact us; Donate; Pages for logged out editors learn more
Template: Quantum field ... Upload file; Special pages; Permanent link; Page information; Get shortened URL; Download QR code; Print/export Download as PDF; Printable ...