| ²é¿´: 1943 | »Ø¸´: 11 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
xiaofenͳæ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿¸ß˹ CCSD l801 ´íÎó ÒÑÓÐ2È˲ÎÓë
|
||
|
ÇóÖú£ºÓøß˹½øÐÐCCSD¼ÆËãʱ³öÏÖÁËÒÔÏ´íÎó Spurious integrated density or basis function: NE= 270 NElCor= 0 El error=2.40D+01 rel=8.89D-02 Tolerance=1.00D-03 Shell 1 absolute error=1.51D-09 Tolerance=1.20D-02 Shell 32 signed error=4.15D-12 Tolerance=1.00D-01 Inaccurate quadrature in CalDSu. Error termination via Lnk1e in /opt/g03b04/g03/Spurious integrated density or basis function: NE= 270 NElCor= 0 El error=2.40D+01 rel=8.89D-02 Tolerance=1.00D-03 Shell 1 absolute error=1.51D-09 Tolerance=1.20D-02 Shell 32 signed error=4.15D-12 Tolerance=1.00D-01 Inaccurate quadrature in CalDSu. Error termination via Lnk1e in /opt/g03b04/g03/l801.exe at Thu Jan 7 09:48:41 2010. Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. File lengths (MBytes): RWF= 61 Int= 0 D2E= 0 Chk= 3 Scr= 1l801.exe at Thu Jan 7 09:48:41 2010. Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. File lengths (MBytes): RWF= 61 Int= 0 D2E= 0 Chk= 3 Scr= 1 ÎÒÓõĻìºÏ»ù×é¡£MgÔ×ÓÒ²ÓÃÁËØÍÊÆ»ù×é¡£ÊDz»ÊÇ»ù×éµÄÔÒòÄØ£¿ Çë´ó¼Ò°ï濴ϰɡ£Ð»Ð»£¡ |
» ²ÂÄãϲ»¶
¸ßЧ΢ÄÉÃ×´¢ÄܲÄÁÏÓë²úÒµ»¯ÍƽøÊµÑéÊÒ ËÕÖÝ ÕÐÊÕ˶ʿÑо¿Éú£¨º¬µ÷¼Á£©
ÒѾÓÐ2È˻ظ´
»¯Ñ§»¯¹¤Ñ§Ôº ÕÐÊÕ»¯¹¤¡¢»¯Ñ§¡¢²ÄÁϵÈÏà¹Ø·½ÏòÑо¿Éú£¨Ñ§Ë¶¡¢×¨Ë¶¶¼Óе÷¼ÁÃû¶î£©
ÒѾÓÐ1È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ74È˻ظ´
¸ßЧ΢ÄÉÃ×´¢ÄܲÄÁÏÓë²úÒµ»¯ÍƽøÊµÑéÊÒ ËÕÖÝ ÕÐÊÕ˶ʿÑо¿Éú£¨º¬µ÷¼Á£©
ÒѾÓÐ0È˻ظ´
ÎÂÖÝ´óѧÐÂÄÜÔ´²ÄÁÏ΢¹ÛËÝÔ´¿ÎÌâ×éÕÐÊÕ2026¼¶²©Ê¿Ñо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§·½Ïò£©
ÒѾÓÐ6È˻ظ´
¹þ¶û±õ¹¤Òµ´óѧ£¨ÉîÛÚ£©ÂÌÉ«»¯Ñ§ÍŶÓÕÐÊÕ2026ÄêÇï¼¾Èëѧ²©Ê¿Éú
ÒѾÓÐ11È˻ظ´
²ÄÁÏÓ뻯¹¤ 323 Ó¢Ò»+Êý¶þ+Îﻯ£¬Ò»Ö¾Ô¸£º¹þ¹¤´ó ±¾È˱¾¿ÆË«Ò»Á÷
ÒѾÓÐ5È˻ظ´
26É격
ÒѾÓÐ2È˻ظ´
°Ä´óÀûÑÇÀ¥Ê¿À¼¿Æ¼¼´óѧPhD²©Ê¿½±Ñ§½ð
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
¸ß˹Êä³öÎļþÓÃʲôÈí¼þ¿ÉÒÔ·½±ã¶ÁÈ¡
ÒѾÓÐ14È˻ظ´
¸ß˹09w×ö¹ý¶É½ðÊôÄ£Ä⣬Çë½Ì³öÏÖµÄL103´íÎóÈçºÎ½â¾ö£¬¶ÏµçÖжϺóÕâÑù´¦Àí¶Ô²»¶Ô
ÒѾÓÐ3È˻ظ´
¸ß˹Ëã×ÏÍâÎó²îºÜ´ó£¬Õ¦°ì£¿
ÒѾÓÐ14È˻ظ´
¸ß˹09ÖеÄL502³ö´íµÄÎÊÌâ
ÒѾÓÐ5È˻ظ´
Çë½ÌÏòÁ¿QÂú×ã¸ß˹·Ö²¼£¬ÓÃmatlabÈçºÎ±íʾ£¿
ÒѾÓÐ11È˻ظ´
Óйظß˹Ëã¾§ÌåµÄ
ÒѾÓÐ7È˻ظ´
ÇóÖú£ºorigin¸ß˹ÄâºÏ
ÒѾÓÐ10È˻ظ´
ÓиöÇó½â΢·Ö·½³ÌÓõ½¸ß˹ÈüµÂ¶ûµü´úµÄ£¬Ë㲻̫Ã÷°×°¡£¬¸÷λ°ïæ¿´¿´
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËã¹ý¶É̬²»ÊÕÁ²£¬ÇëÎÊÈçºÎ½â¾ö£¿
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿Çë¸ßÊÖ·ÖÎöϸß˹2070´íÎó£¬
ÒѾÓÐ7È˻ظ´
¶¬ÌìÀïµÄ½¾Ñô
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 7179.7
- É¢½ð: 10
- Ìû×Ó: 387
- ÔÚÏß: 318Сʱ
- ³æºÅ: 439463
- ×¢²á: 2007-10-13
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
3Â¥2010-01-07 14:54:50
¶¬ÌìÀïµÄ½¾Ñô
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 7179.7
- É¢½ð: 10
- Ìû×Ó: 387
- ÔÚÏß: 318Сʱ
- ³æºÅ: 439463
- ×¢²á: 2007-10-13
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
2Â¥2010-01-07 14:54:04
xiaofen
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 143.3
- Ìû×Ó: 62
- ÔÚÏß: 2.2Сʱ
- ³æºÅ: 732667
- ×¢²á: 2009-03-27
4Â¥2010-01-07 15:19:25
¶¬ÌìÀïµÄ½¾Ñô
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 7179.7
- É¢½ð: 10
- Ìû×Ó: 387
- ÔÚÏß: 318Сʱ
- ³æºÅ: 439463
- ×¢²á: 2007-10-13
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+2,VIP+0): 1-8 13:31
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+2,VIP+0): 1-8 13:31
| ²»ºÃÒâ˼£¬±¾ÈË´ò×ÖʧÎó£¬Ó¦¸ÃÊÇintegral(grid=ultrafine) |
5Â¥2010-01-07 16:13:08













»Ø¸´´ËÂ¥