Unpaired electron population at Mulliken type

• 回報者: okymmolds
• 負責人: okymmolds
• 類型: 特色請求
• 狀態: 關閉
• 元件: (無)
• 里程碑: ver0.3.0 (closed)
• 優先權: 3
• 嚴重程度: 3
• 處理結果: 無
• 檔案: 無

細節

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

• 負責人 Update from (無) to okymmolds

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

評語

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
• 狀態 Update from 開啟 to 關閉

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

• 里程碑 Update from (無) to ver0.3.0 (closed)