24СʱÈÈÃÅ°æ¿éÅÅÐаñ    

²é¿´: 7462  |  »Ø¸´: 89
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û79´Î£¬×÷ÕßLukeNiuÔö¼Ó½ð±Ò 62.6 ¸ö

LukeNiu

¾èÖú¹ó±ö (³õÈëÎÄ̳)


[×ÊÔ´] Ãܶȷºº¯ÀíÂÛ (Density Functional Theory) µÄȨÍþÖø×÷

Ãܶȷºº¯ÀíÂÛÊÇÒ»ÖÖÑо¿¶àµç×ÓÌåϵµç×ӽṹµÄÁ¿×ÓÁ¦Ñ§·½·¨¡£Ãܶȷºº¯ÀíÂÛÔÚÎïÀíºÍ»¯Ñ§É϶¼Óй㷺µÄÓ¦Óã¬ÌرðÊÇÓÃÀ´Ñо¿·Ö×ÓºÍÄý¾Û̬µÄÐÔÖÊ£¬ÊÇÄý¾Û̬ÎïÀí¼ÆËã²ÄÁÏѧºÍ¼ÆË㻯ѧÁìÓò×î³£Óõķ½·¨Ö®Ò»¡£

×÷Õß: David Sholl / Janice A Steckel
³ö°æÉç: Wiley-Interscience
¸±±êÌâ: A Practical Introduction
³ö°æÄê: 2009-04-13
Ò³Êý: 252
¶¨¼Û: USD 99.95
×°Ö¡: Hardcover
ISBN: 9780470373170

Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æȨÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺libolin3@tal.com
  • ¸½¼þ 1 : David_Sholl,_Janice_A_Steckel_Density_functional(b-ok.org).pdf
  • 2018-02-15 03:22:07, 1.86 M

» ÊÕ¼±¾ÌûµÄÌÔÌùר¼­ÍƼö

Êé¼®ÏÂÔØÍøÕ¾ רҵÊé¼®£¨ÍâÎİ棩WM AllenµÄÓ¢ÎÄÔ­°æ+°Ù¿Æ ÎïÀí»¯Ñ§²ÄÁÏÀàÊé¼®
רҵÊé¼®Ö®ÊýѧÁ¦Ñ§WM Á£×ÓÓîÖæÉúÃü AllenµÄÎïÀí

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍƼö: (ÎÒÒ²ÒªÔÚÕâÀïÍƹã)

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖ§³Ö ( ÏÔʾ֧³Ö¶È×î¸ßµÄÇ° 50 Ãû )

LukeNiu

¾èÖú¹ó±ö (³õÈëÎÄ̳)


Õâ±¾ÊéÊÇÎÒ²©µ¼·¢¸øÎÒµÄ =¡¢=
2Â¥2018-02-15 03:25:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÇàÍÜѧÕß

Í­³æ (³õÈëÎÄ̳)


ºÃ¶«Î÷£¬ÏÈлл¥Ö÷ÁË
35Â¥2018-04-23 11:02:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hf6391964

Ìú¸Ëľ³æ (ÖªÃû×÷¼Ò)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍƼö

лл
15Â¥2018-02-20 12:17:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mgmguu

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍƼö

¸Ðл¥Ö÷
27Â¥2018-03-20 10:25:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

7616569qq

Ìú³æ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍƼö

¿´¿´£¬¿´¿´¡£
30Â¥2018-03-26 15:10:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shiningxujin

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍƼö

¸Ðл¸Ðл¡£ÕýÊÇÐèÒªµÄºÃ¶«Î÷
34Â¥2018-04-20 08:45:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

soloon

гæ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍƼö

·Ç³£ºÃ£¬¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
48Â¥2018-10-11 15:18:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
xmc1411183Â¥
2018-02-15 05:43   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hustoe20114Â¥
2018-02-15 07:47   »Ø¸´  
anionxt5Â¥
2018-02-15 12:25   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wzwst16Â¥
2018-02-15 22:58   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2018-02-16 22:14   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hustoe20118Â¥
2018-02-17 22:31   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2018-02-19 12:41   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
fenggaol10Â¥
2018-02-19 15:01   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
daijzh11Â¥
2018-02-19 18:08   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tianwk12Â¥
2018-02-20 00:13   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
yu516113Â¥
2018-02-20 07:29   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
1309614514Â¥
2018-02-20 10:20   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
alfzhang16Â¥
2018-02-20 12:31   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
everie17Â¥
2018-02-20 12:40   »Ø¸´  
ÎåÐǺÃÆÀ  
bigheaddm18Â¥
2018-02-20 17:19   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wtiger19Â¥
2018-02-20 18:45   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
guli052020Â¥
2018-02-20 19:50   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
polymersdu21Â¥
2018-02-20 23:50   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Quan.22Â¥
2018-02-21 09:45   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
10500070lin23Â¥
2018-02-21 11:31   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
jyhustb24Â¥
2018-02-21 21:28   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2018-02-28 08:43   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xiaoqian201526Â¥
2018-03-15 09:20   »Ø¸´  
ÈýÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
red_egg28Â¥
2018-03-23 17:35   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ucavrc29Â¥
2018-03-25 18:37   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wph66631Â¥
2018-04-04 15:15   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tianye89081532Â¥
2018-04-13 10:43   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ÆÆÏÂÏÞ33Â¥
2018-04-17 09:27   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2018-04-23 18:23   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
cs12329237Â¥
2018-04-24 17:40   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
amarda38Â¥
2018-05-17 15:48   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2018-05-17 21:21   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2018-05-18 15:24   »Ø¸´  
evolutionyy41Â¥
2018-06-15 15:43   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
fyl742Â¥
2018-06-16 10:01   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zm2466845643Â¥
2018-06-28 16:31   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
¶Å†´44Â¥
2018-07-21 16:50   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
fantasiakim45Â¥
2018-08-10 11:11   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ethan918346Â¥
2018-08-24 14:45   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
²Ì¼Ñ¼Ñ47Â¥
2018-10-01 11:21   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
rain1shi49Â¥
2018-10-24 18:05   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
caoyimei50Â¥
2018-10-25 21:04   »Ø¸´  
ÎåÐǺÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌøת ÎÒÒª¶©ÔÄÂ¥Ö÷ LukeNiu µÄÖ÷Ìâ¸üÐÂ
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍƼö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 292Çóµ÷¼Á£¬QQ2394006585£¬Î¢ÐÅͬµç»° +3 Meimei°®Ñ§Ï° 2024-03-28 3/150 2024-03-28 15:22 by qlm5820
[¿¼ÑÐ] 299Çóµ÷¼Á +6 LChogD 2024-03-27 9/450 2024-03-28 15:13 by barlinike
[¿¼ÑÐ] 294Çóµ÷¼Á +3 ÇïľËÕØ­ 2024-03-27 3/150 2024-03-28 15:06 by qlm5820
[¿¼ÑÐ] 317Çóµ÷¼Á ±¾¿ÆÐÂÄÜÔ´²ÄÁÏÓëÆ÷¼þ£¨µç»¯Ñ§£© +3 É곯Ðñ 2024-03-24 3/150 2024-03-28 14:49 by renwenfeng
[¿¼ÑÐ] 313Çóµ÷¼Á +5 chestnut. 2024-03-28 5/250 2024-03-28 14:37 by Ëæ·ç¶ø¶¯ß×
[½Ìʦ֮¼Ò] ±ÏÒµ6Ä꣬¸Ð¾õ¿ÆÑеÄ·Խ×ßÔ½Õ­ÁË£¬²»ÖªµÀÔõô°ì +10 ÓàÒ¦ºÍг 2024-03-27 10/500 2024-03-28 13:50 by chemhua
[¿¼ÑÐ] 326Çóµ÷¼Á +4 wdm.001923 2024-03-24 4/200 2024-03-28 11:41 by -ÃÔÁË·°¡Â·
[¿¼ÑÐ] 320»¯Ñ§¹¤³ÌÓë¼¼ÊõÇóµ÷¼Á +8 Wjrjxmt 2024-03-27 8/400 2024-03-28 10:46 by Ëæ·ç¶ø¶¯ß×
[¿¼ÑÐ] 309Çóµ÷¼Á +3 »¯¹¤qxam 2024-03-23 3/150 2024-03-28 10:35 by hangyuan13
[Óлú½»Á÷] ºÏ³ÉʵÑé½ô¼±ÇóÖú£¬¸÷λ´óÉñ°ï棡 50+4 1595515531 2024-03-26 5/250 2024-03-28 09:33 by ¸ßÊ÷×®
[¿¼ÑÐ] 323²ÄÁÏѧ˶Çóµ÷¼Á£¬Ò»Ö¾Ô¸985 +8 hzxhan 2024-03-27 10/500 2024-03-28 07:12 by EBSD
[¿¼ÑÐ] 321·Ö²ÄÁÏÀà ±¾¿Æ¸ß·Ö×ÓÇóµ÷¼Á +16 Tumi1218 2024-03-22 19/950 2024-03-27 16:18 by tkdmxl
[˶²©¼ÒÔ°] Õæ´Ì¼¤ +7 s150535912 2024-03-26 8/400 2024-03-27 12:00 by liuyupu132
[Óлú½»Á÷] ¹è½º°å±£´æÎÊÌâ¼°»î»¯ 10+3 2651230415 2024-03-23 4/200 2024-03-27 10:27 by mrzhl1986
[¿¼ÑÐ] µ÷¼Á +6 Áõ¼Ñ¿¡°¡ 2024-03-24 11/550 2024-03-27 10:03 by 24½ì»¯Ñ§¿¼Ñе÷¼
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõ320Çóµ÷¼Á +7 Wjrjxmt 2024-03-26 8/400 2024-03-27 08:50 by ʵÑéÊÒ@
[¿¼ÑÐ] Ò»Ö¾Ô¸Î人Àí¹¤²ÄÁÏѧ ѧ˶ 300·ÖÇóµ÷¼Á +4 ÏëÏòÉÏpao 2024-03-25 8/400 2024-03-27 08:49 by δÀ´¿ÉÆÚ¼òÖ±²»¶
[¿¼ÑÐ] 308Çóµ÷¼Á +5 catherinetyx 2024-03-24 5/250 2024-03-26 13:01 by helloѽ6
[¿¼ÑÐ] 300Çóµ÷¼Á +9 ÏëÏòÉÏpao 2024-03-23 14/700 2024-03-26 10:11 by siwuhen
[¿¼ÑÐ] 329Çóµ÷¼Á +3 YYRr21 2024-03-22 3/150 2024-03-24 13:44 by Ðý·çÂí
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û