Unpaired electron population at Mulliken type

• Informador: okymmolds
• Propietario: okymmolds
• Tipo: Feature Requests
• Estado: Cerrado
• Componente: (Ninguno)
• Hito: ver0.3.0 (cerrado)
• Prioridad: 3
• Gravedad: 3
• Resolución: Ninguno
• Fichero: Ninguno

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

• Propietario Update from (Ninguno) to okymmolds

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

Comentario

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
• Estado Update from Open to Cerrado

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

• Hito Update from (Ninguno) to ver0.3.0 (cerrado)