TURBOMOLE Users Forum
Welcome,
Guest
. Please
login
or
register
.
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
Home
Help
Search
Login
Register
TURBOMOLE Users Forum
»
TURBOMOLE Modules
»
Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
»
how to calculate the spin natural orbital
« previous
next »
Print
Pages: [
1
]
Author
Topic: how to calculate the spin natural orbital (Read 5373 times)
ardie
Newbie
Posts: 8
Karma: +0/-0
how to calculate the spin natural orbital
«
on:
November 13, 2012, 01:35:05 PM »
Dear all,
Is it possible to calculate the spin natural orbital of an open-shell system by Turbomole? If so, how to do it? Thanks.
Ardie
Logged
Print
Pages: [
1
]
« previous
next »
TURBOMOLE Users Forum
»
TURBOMOLE Modules
»
Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
»
how to calculate the spin natural orbital