Skip to content

variationally solve hydrogen atom with autograd

Notifications You must be signed in to change notification settings

wangleiphy/hydrogen

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

4 Commits
 
 
 
 
 
 
 
 

Repository files navigation

Equations are from Thijssen

  • full_variational.py treats both the expansion coeficient and basis parameter as variational parameters.
  • variational_eigh.py treats the basis parameters as variational parameters, and gets the expansion coeficients via a generalized eigensolver. This highlights that one is able to differentiate through the eigensovler.

equations

About

variationally solve hydrogen atom with autograd

Topics

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages