Skip to main content
Search type Search syntax
Tags [tag]
Exact "words here"
Author user:1234
user:me (yours)
Score score:3 (3+)
score:0 (none)
Answers answers:3 (3+)
answers:0 (none)
isaccepted:yes
hasaccepted:no
inquestion:1234
Views views:250
Code code:"if (foo != bar)"
Sections title:apples
body:"apples oranges"
URL url:"*.example.com"
Saves in:saves
Status closed:yes
duplicate:no
migrated:no
wiki:no
Types is:question
is:answer
Exclude -[tag]
-apples
For more details on advanced search visit our help page
Results tagged with
Search options questions only not deleted user 142

For questions about performing Complete Active Space Self Consistent Field calculations

7 votes
3 answers
559 views

Open source FCI solvers for exact diagonalization of the many-electron Hamiltonian

The solver should be able to return density matrices, for instance, since those are needed for complete-active-space self-consistent-field (CASSCF) calculations. …
Susi Lehtola's user avatar
  • 20.1k