±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 10899  |  »Ø¸´: 40
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û14´Î£¬×÷ÕßtonglijiaÔö¼Ó½ð±Ò 10.4 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

tonglijia

ʵϰ°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


[×ÊÔ´] originÖÐÈçºÎ×Ô¶¨ÒåBirch¨CMurnaghanÈý½×ÄâºÏ

ÓеijæÓÑÎÊÎÒÔÚoriginÖÐÈçºÎʵÏÖb-mÈý½×ÄâºÏµÄ£¬ËùÒÔÌù³öÕâ¸ö×ÊÔ´¹©´ó¼Ò²Î¿¼
1.tools--fitting functions organizer e9
2.¾ßÌåÉèÖüûͼƬ
3.Ó¦¸Ã×¢ÒâµÄµØ·½£ºÔڱ༭¹«Ê½µÄʱºò¼«ÈÝÒ׳ö´í£¬ËùÒÔ¸öÈ˽¨ÒéÔڱ༭µÄ¹ý³ÌÖÐÏȽ«functions formÉèÖÃΪ origin c¸ñʽ£¬È»ºóÔڱ༭º¯Êý¿òÖпÉÒÔÿÊäÈëÒ»¸ö×Ö·û£¬µã»÷Ò»ÏÂÊäÈë¿òºóÃæµÄÄǸöºìɫбÏòÉϵİ´Å¥£¨º¯ÊýÐÎʽΪequationʱ²»ÏÔʾ´Ë°´Å¥£©£¬µã»÷ºóµÄͼƬΪµÚ¶þÕÅͼ£¬´Ëʱµã»÷compie£¬Èç¹ûÏÔʾdone!ÄÇô¹«Ê½±à¼­Êdzɹ¦µÄ£¬Èç¹ûʧ°ÜÇë·µ»Ø²é¿´¡£Èç¹ûÊÇÿ±à¼­Ò»¸ö×Ö·û¾Í¼ì²é¶Ô´íµÄ»°Ò»¶¨Òª×¢Òâparameters namesÖгöÏÖµÄÐèÒªÄâºÏµÄÁ¿±ØÐëÒªÓ빫ʽÖе±Ç°°üº¬µÄÐèÒªÄâºÏµÄÁ¿Ò»Ö£¡·ñÔò±¨´í

b-m.jpg


-1
δÃüÃû.jpg

¹ØÓÚµ¥Î»»»ËãÎÊÌâ
1 bohr =5.29177210818 x 10^(-11) m = 1 au = 0.52917°£; 1 hartree = 2625.5 kj/mol =27.2114 ev;
1 hartree = 4.3597441775 x 10^(-18) j = 1 ha
1 ha/au^3 = [4.3597441775 x 10^(-18) j ] / [5.29177210818^3 x 10^(-11) m^3]
                  = 2.94210120348 x 10^(13) j/m^3
                  = 2.94210120348 x 10^(13) n/m^2
                  = 2.94210120348 x 10^4 gpa

[ last edited by tonglijia on 2015-10-16 at 17:27 ]

Óöµ½ÎÊÌâµÄͬѧ£¬Çë×ÔÐÐÁªÏµÎÒ422248685£¨QQ΢ÐŶ¼ÊÇÕâ¸ö£©

[ Last edited by tonglijia on 2021-11-4 at 07:29 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

MS×ÊÔ´ Åàѵ¡¢×Ü½á ³¤Ô¶·¢Õ¹ µÚÒ»ÐÔÔ­Àí

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

±ùä¿ÁÜß¹

ʵϰ°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


ÒýÓûØÌû:
10Â¥: Originally posted by hailan2005 at 2014-04-30 11:23:11
·Ç³£¸Ðл¥Ö÷£¬°´ÄúµÄͼʾ£¬ÒÑÄâºÏ³É¹¦£¬²»¹ýÓÐÒ»¸öСÎÊÌâ¿ÒÇëÄú°ïÖú¿´¿´¡£¾ÍÊÇÄǸöB¡®µÄûÓÐÄâºÏ³öÀ´£¬»¹ÊÇÔ­À´µÄ³õʼֵ4¡£

P-V.png
...

ÇëÎÊB0V0³õʼֵÔÚÄÄÀïÉèÖð¡
34Â¥2018-09-03 10:48:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 41 ¸ö»Ø´ð

tonglijia

³¬¼¶°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


Ìå»ýÄÜÁ¿ÄâºÏ¾§¸ñ²ÎÊýµÄʱºòÒ»¶¨Òª×¢ÒâÁ¿¸Ù£¡ÐèÒªÁ˽âÁ¿¸Ùת»»µÄÇëÁôÑÔ£¬ÓÐʱ¼ä»áд³öÏêϸµÄת»»¹ý³Ì
2Â¥2013-10-02 19:49:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Å­³åÐǺÓ

°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ºÃ¶«Î÷£¬Ïȶ¥Ò»ÏÂ
3Â¥2013-10-03 11:48:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄÎÂäÖ®Ò¹

Ö÷¹ÜÇø³¤

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ÒýÓûØÌû:
2Â¥: Originally posted by tonglijia at 2013-10-02 19:49:37
Ìå»ýÄÜÁ¿ÄâºÏ¾§¸ñ²ÎÊýµÄʱºòÒ»¶¨Òª×¢ÒâÁ¿¸Ù£¡ÐèÒªÁ˽âÁ¿¸Ùת»»µÄÇëÁôÑÔ£¬ÓÐʱ¼ä»áд³öÏêϸµÄת»»¹ý³Ì

ÎÒÐèÒª°¡ £¬Â¥Ö÷¿É·ñÏêϸ½²Ò»ÏÂ
7Â¥2013-11-26 10:52:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
loveting5Â¥
2013-10-03 15:38   »Ø¸´  
ÎåÐÇºÃÆÀ  
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á£º085600²ÄÁÏÓ뻯¹¤£¬¿¼²Ä¿Æ»ù£¬×Ü·Ö319 +17 678lucky 2026-03-31 21/1050 2026-04-01 01:40 by 1018329917
[¿¼ÑÐ] 311Çóµ÷¼Á +8 ÀîÜÆÐÂ1 2026-03-31 8/400 2026-04-01 01:39 by 1018329917
[¿¼ÑÐ] ʡ˫һÁ÷ÖØµãÒ»±¾´óѧÕÐÊÕµ÷¼Á +3 wwwwffffff 2026-03-31 5/250 2026-03-31 19:49 by ÔøÔøÔø£¡
[¿¼ÑÐ] ÉúÎïѧ 296 Çóµ÷¼Á +7 ¶ä¶ä- 2026-03-26 9/450 2026-03-31 14:26 by jp9609
[¿¼ÑÐ] Ó¢Ò»ÊýÒ»×Ü·Ö334Çóµ÷¼Á +4 ³ÂÑôÀ¤ 2026-03-31 4/200 2026-03-31 14:22 by ¼Çʱ¾2026
[¿¼ÑÐ] 085404 22408 315·Ö +5 zhuangyan123 2026-03-31 6/300 2026-03-31 13:48 by limeifeng
[¿¼ÑÐ] 293·ÖÇóµ÷¼Á£¬ÍâÓïΪ¶íÓï +5 ¼ÓÒ»Ò»¾Å 2026-03-31 5/250 2026-03-31 09:39 by zhshch
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸ÖÐɽ´óѧÉîÛÚ²ÄÁϹ¤³Ì330Çóµ÷¼Á +5 pipiver 2026-03-30 5/250 2026-03-31 07:37 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼ÁÒ»Ö¾Ô¸´óÁ¬º£ÊÂ085600£¬349 +6 ³ÔµÄ²»ÉÙ 2026-03-30 6/300 2026-03-31 04:17 by fmesaito
[¿¼ÑÐ] 0703»¯Ñ§/290Çóµ÷¼Á/±¾¿Æ¾­Àú·á¸»/¹¤¿ÆÒ²¿É +13 µ¤ÇàÄÌ¸Ç 2026-03-26 15/750 2026-03-30 12:35 by fangnagu
[¿¼ÑÐ] 348Çóµ÷¼Á +6 СÀÁ³æ²»ÀÁÁË 2026-03-28 6/300 2026-03-30 10:29 by Evan_Liu
[¿¼ÑÐ] 329Çóµ÷¼Á +10 Å¥¶÷Ñ© 2026-03-25 10/500 2026-03-29 13:32 by peike
[¿¼ÑÐ] Çóµ÷¼Á +6 «lty 2026-03-25 7/350 2026-03-28 13:13 by ÌÆãå¶ù
[¿¼ÑÐ] 340Çóµ÷¼Á +5 jhx777 2026-03-27 5/250 2026-03-28 04:18 by fmesaito
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸ÄÏÅ©083200ʳƷ¿ÆÑ§Ó빤³Ì +5 XQTJZ 2026-03-26 5/250 2026-03-27 14:49 by ¿ñìÅÂóµ±µ±
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ÇóÇóÁËÊÕÏÂÎÒ°É£ 2026-03-26 4/200 2026-03-27 10:37 by zhshch
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó071010£¬316·ÖÇóµ÷¼Á +3 xgbiknn 2026-03-27 3/150 2026-03-27 10:36 by guoweigw
[¿¼ÑÐ] Öйú¿ÆÑ§ÔºÉîÛÚÏȽø¼¼ÊõÑо¿Ôº-¹âÏË´«¸Ð¿ÎÌâ×éÕÐÉú-Öйú¿ÆÑ§Ôº´óѧ¡¢ÉîÛÚÀí¹¤´óѧÁªÅà +5 YangTyu1 2026-03-26 5/250 2026-03-26 18:27 by èßäèßäѽ
[¿¼ÑÐ] ´ò¹ýºÜ¶à¾ºÈü£¬085406¿ØÖƹ¤³Ì300·Ö£¬Çóµ÷¼Á +3 askeladz 2026-03-26 3/150 2026-03-26 09:08 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] ÍøÂç¿Õ¼ä°²È«0839Õе÷¼Á +4 w320357296 2026-03-25 6/300 2026-03-25 17:59 by 255671
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û