Subject  / Started by |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
Finding transition state @ RI-MP2
Started by ztehrani |
7 Replies
8633 Views |
April 26, 2015, 06:28:49 AMby ztehrani |
|
|
|
Extra relaxed calculations.
Started by Addiw7 |
3 Replies
6453 Views |
March 28, 2013, 09:59:53 AM by Arnim |
|
|
|
1 Replies
4050 Views |
July 06, 2023, 02:04:02 PM by christof.haettig |
|
|
|
|
External electrostatic field
Started by djelenfi |
0 Replies
2605 Views |
February 17, 2020, 08:22:41 PM by djelenfi |
|
|
|
Excited states with CCSD again
Started by marand |
1 Replies
5821 Views |
November 23, 2012, 09:39:25 AM by evgeniy |
|
|
|
Excited states with CCSD
Started by evgeniy |
0 Replies
5278 Views |
September 12, 2012, 12:10:08 PM by evgeniy |
|
|
|
excited states RICC2 – symmetry issue
Started by Alex_V |
4 Replies
8082 Views |
November 18, 2010, 05:41:19 PM by christof.haettig |
|
|
|
1 Replies
5324 Views |
May 07, 2015, 01:34:04 AM by Rafał Bachorz |
|
|
|
|
1 Replies
7613 Views |
April 19, 2008, 10:10:37 PM by uwe |
|
|
|
|
1 Replies
6486 Views |
July 18, 2013, 04:57:12 PM by uwe |
|
|
|
|
8 Replies
11493 Views |
January 13, 2012, 03:33:44 PM by Arnim |
|
|
|
|
Efficiency of RICC2_smp
Started by mradon |
2 Replies
5665 Views |
July 29, 2011, 02:16:44 PM by mradon |
|
|
|
1 Replies
7254 Views |
February 10, 2010, 04:12:01 PM by christof.haettig |
|
|
|
|
Dipole moment of Excited States with CC2
Started by pietd0 |
1 Replies
5504 Views |
September 02, 2014, 09:56:14 AM by Arnim |
|
|
|
2 Replies
2923 Views |
August 05, 2023, 04:51:11 PM by Pmandal123@ |
|
|
|
|
dipole moment for the ground state
Started by iamxyj |
0 Replies
4502 Views |
November 29, 2011, 11:24:51 AM by iamxyj |
|
|
|
dimension too large error?
Started by sazabi |
2 Replies
6701 Views |
May 09, 2010, 07:26:11 PM by sazabi |
|
|
|
Diagnostics for SCS-MP2 calculation
Started by mariavd |
2 Replies
4885 Views |
July 26, 2017, 11:44:20 AM by mariavd |
|
|
|
D2 diagnostic in CC2
Started by evgeniy |
2 Replies
6420 Views |
January 06, 2012, 01:58:20 PM by mradon |
|
|
|
1 Replies
5504 Views |
November 18, 2019, 11:26:00 AM by christof.haettig |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic