Unpaired electron population at Mulliken type

• Reporter: okymmolds
• Owner: okymmolds
• Type: Feature Requests
• Status: Closed
• Component: (None)
• MileStone: ver0.3.0 (closed)
• Priority: 3
• Severity: 3
• Resolution: None
• File: None

Details

Unpaired electron population of a single atom at Mulliken type is developed. Theoret. Chim. Acta (Berl) 48, 175, (1978) Chem. Phys. Lett., 330, 161, (2000). Chem. Phys. Lett., 372, 508, (2003)

Ticket History (3/5 Histories)

2012-10-27 03:11 Updated by: okymmolds

• New Ticket "Unpaired electron population at Mulliken type" created

2012-10-28 00:35 Updated by: okymmolds

• Owner Update from (None) to okymmolds

2013-01-27 20:59 Updated by: okymmolds

Comment

In #1263, the manual and test-input about unpaired electron population in the README.txt and c2h6_pm3_directCIS_singlet.in are added. In this revision, the development of the unpaired electron population is closed.

2013-01-27 21:00 Updated by: okymmolds

• Ticket Close date is changed to 2013-01-27 21:00
• Status Update from Open to Closed

2013-02-02 11:23 Updated by: mikiya_fujii

• Milestone Update from (None) to ver0.3.0 (closed)