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[×ÊÔ´] ATK&VNLʹÓý̵̳ÄÊÓÆµ

ÔÚÓÅ¿áÉÏÓÐATK&VNLʹÓý̵̳ÄÊÓÆµ£¬²¢¸½ÓÐÖÐÎÄ×ÖÄ»¡£Í¨¹ý¿´ÊÓÆµ¿ÉÄÜ»á¸ü¿ìѧ»áVNLµÄ²Ù×÷£¬°üÀ¨½¨Ä££¨two-probe system, ̼ÄÉÃ׹ܡ¢MoS2ÄÉÃ׹ܡ¢·Ö×Ó¡¢½çÃæÌåϵµÈ£©¡¢¼ÆËãÁ÷³Ì¡¢·ÖÎö¼ÆËã½á¹ûµÈµÈ¡£
http://i.youku.com/QuantumWiseTV

1. Build a MoS2 nanotube
http://v.youku.com/v_show/id_XNTQwMTAzMDA0.html

2. Build Carbon Nanotube Junctions
http://v.youku.com/v_show/id_XNTQwMTA1NDY4.html

3. Build a Graphene-Nickel Interface
http://v.youku.com/v_show/id_XNTQwMTA2NDI0.html

4. Build a Capped Carbon Nanotube
http://v.youku.com/v_show/id_XNTQwMTA1ODQw.html

5. How to build rotated graphene layers in ATK
http://v.youku.com/v_show/id_XNTQwMTA2NzY0.html

6. Build a Pentacene Molecule
http://v.youku.com/v_show/id_XNTQwMTA0ODI0.html

7.  Build a gold-dtb-gold device
http://v.youku.com/v_show/id_XNTQwMTAyNjA0.html

8. Calculate the band structure of a bulk crystal
http://v.youku.com/v_show/id_XNTQwMTA0NzI4.html

9. Electronic Transport Through A Distorted Nanoribbon
http://v.youku.com/v_show/id_XNTQwMTA3MjY4.html

10. Build a Carbon Nanotube with a Stone-Wales defect
http://v.youku.com/v_show/id_XNTQwMTAxODky.html

11. Build a Graphene Sheet with a Hole
http://v.youku.com/v_show/id_XNTQwMTAxMDU2.html

12. ATK Software Demonstration
http://v.youku.com/v_show/id_XNTQwMTAwMjU2.html

13. Basic Builder Tips1-Importing and Exporting Files
http://v.youku.com/v_show/id_XNTQwMTA0MDYw.html
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first principle ATKºÍµç×ÓÊäÔË @¸öÈËÊÕ¼¯@ Photochemistry
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jgm0318

гæ (³õÈëÎÄ̳)


In ATK, how the 'gate' voltages translate into orbital energies. Take the voltage of each 'gate' and apply that uniformly to the atoms of the molecule?  If this is the case then the result is not physical, since each gate will contribute to the energy shift on all atoms nearly identically (since the capacitance between each gate and
atom is nearly identical).  Would you please help me solve the  problem ?
13Â¥2013-04-17 12:08:08
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k_now

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Thank you very much
2Â¥2013-04-15 20:03:13
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ľ³æ (ÕýʽдÊÖ)


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3Â¥2013-04-15 21:07:40
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wllgnxl99

½ð³æ (СÓÐÃûÆø)


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