±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 570  |  »Ø¸´: 2

lltyy

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ÐÂÊÖÇóÖú£¬effective core potentialÖ¸µÄÊÇʲô£¿ ÒÑÓÐ1È˲ÎÓë

Éó¸åÈËÒâ¼ûÈçÏ£º
The authors should specify which effective core potential was used for Ir in their study.
¶ÔÓÚÖØÔ­×ÓIrÎÒÊÇÓõÄLANL2DZÚIÊÆ£¬Ëû»¹ÈÃÎÒ˵Ã÷ʲô°¡£¿ÕæÐIJ»¶®£¬Çë½Ì¸÷λ£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

gauss98

½û³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
lltyy: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2014-11-19 19:25:49
gmy1990: ½ð±Ò+2, ¸ÐлӦÖú 2014-11-20 01:45:50
±¾ÌûÄÚÈݱ»ÆÁ±Î

2Â¥2014-11-19 08:20:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lltyy

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by gauss98 at 2014-11-19 01:20:02
Äã¾ÍÔÙ¼ÓÒ»¾äÓõÄÊÇlanl2dzÚIÊÆ£¬²¢°Ñlanl2dzµÄ²Î¿¼ÎÄÏ×¼ÓÉÏ

ÎÒÔÚÕýÎĵÄcomputational detailÀí¶¼Ð´Çå³þÁ˰¡£¡ÕâÒâ¼ûÕæÎÞÓ
3Â¥2014-11-19 19:25:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lltyy µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á +6 ÐÒÔ˵Ľ´½´ 2026-03-22 7/350 2026-03-27 09:39 by caszguilin
[¿¼ÑÐ] 284Çóµ÷¼Á +11 junqihahaha 2026-03-26 12/600 2026-03-27 04:37 by wxiongid
[¿¼ÑÐ] 321Çóµ÷¼Á +6 wasdssaa 2026-03-26 6/300 2026-03-26 20:57 by sanrepian
[¿¼ÑÐ] ¡¾Ë«Ò»Á÷ԺУÐÂÄÜÔ´¡¢»·¾³²ÄÁÏ£¬²ÄÁϼӹ¤ÓëÄ£ÄâÕÐÊÕ´óÁ¿µ÷¼Á¡¿ +4 Higraduate 2026-03-22 8/400 2026-03-26 20:34 by Higraduate
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +3 LiÀîÓã 2026-03-26 3/150 2026-03-26 18:32 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] 279Çóµ÷¼Á +6 ºìÒÂÒþ¹Ù 2026-03-21 6/300 2026-03-26 18:32 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ²ÄÁÏÓ뻯¹¤£¨085600£©296Çóµ÷¼Á +9 µ¾ÆÞС±à 2026-03-26 9/450 2026-03-26 16:16 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 334·Ö Ò»Ö¾Ô¸ÎäÀí ²ÄÁÏÇóµ÷¼Á +4 ÀîÀî²»·þÊä 2026-03-26 4/200 2026-03-26 16:00 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 263Çóµ÷¼Á +6 yqdszhdap£­ 2026-03-22 10/500 2026-03-26 13:11 by ¹«èªåÐÒ£
[¿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] Ò»Ö¾Ô¸ÄϺ½ 335·Ö | 0856²ÄÁÏ»¯¹¤ | GPA 4.07 | ÓпÆÑо­Àú +6 cccchenso 2026-03-23 6/300 2026-03-25 22:25 by 544594351
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤304ÇóBÇøµ÷¼Á +3 Çñgl 2026-03-25 3/150 2026-03-25 19:03 by Ainin_
[¿¼ÑÐ] Çóµ÷¼Á +3 ÀîÀî²»·þÊä 2026-03-25 3/150 2026-03-25 13:03 by cmz0325
[¿¼ÑÐ] ÉúÎïѧѧ˶Çóµ÷¼Á +7 СÑò˯×ÅÁË? 2026-03-23 10/500 2026-03-25 02:24 by Çå·ç·÷Ñï¡£ m
[¿¼ÑÐ] ʳƷר˶ һ־Ը˫һÁ÷ 328 +3 xiaom99 2026-03-21 4/200 2026-03-24 21:20 by lailaisimei
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] 305·ÖÇóµ÷¼Á£¨Ê³Æ·¹¤³Ì£© +5 Sxy112 2026-03-21 7/350 2026-03-24 12:27 by 544594351
[¿¼ÑÐ] 293Çóµ÷¼Á +3 ÌÎÌÎWjt 2026-03-22 5/250 2026-03-22 22:21 by jiangpengfei
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ·ï»ËÔº¶¡Õæ 2026-03-20 3/150 2026-03-21 10:27 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏÀí¹¤085701»·¾³302Çóµ÷¼ÁԺУ +3 ¿ûè÷ÎÀ¶Ó 2026-03-20 3/150 2026-03-20 19:28 by zhukairuo
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û