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, 4f 5f-. , , , 4f- 5f , . LDA+U [4], - 4f-.

, LDA+U , Gd GdB6. Gd 4f- 3,5 LDA 9,5 LDA+U . GdB6, 4f- 3,5 (LDA) 11,9 (LDA+U). , ( ) 4f-. Gd 40 /Ry/, ( /Ry/).

1. Davenport J.W. Linear augmented-Slater-type-orbital method for electronic structure calculations // Phys Rev. 1984. V. B26. P. 2896-2904.

2. .. // IV . , 1996. . 81.

3. .., .., .., .., TiN, Ti0.75Zr0.25N, Ti0.25Zr0.75N, ZrN //. 2000. .42. 11. .1943-1947.

4. Anisimov V.I., First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+U method // J. Phys.: Condens. Matter. 1997. .9. . 767-808.

.. . . () ( ..) , - , . , , , , .. , [1].

0 1. (qubit), , , 0 1, . , ( , , , , , , L L ). , . , , .

:

1. n , 2n. , 2n , 2n . - 2n . .

2. , . , .

. , , [3].

1. .. : , // . 2000. .170. 6. . 2. .. . - // . .149. 4. .671.

3. ... // : . . . . . , / . .. . : , 2002. .362.

Micha Zakrzewski, Krzysztof Zalewski ZASTOSOWANIE WSPRZDNOCIOWEJ TECHNIKI POMIAROWEJ I SYSTEMW CAD/CAM W PROCESIE ODTWARZANIA OBIEKTW PRZESTRZENNYCH........................................................................... .. ....................................................................................................................... .. .......................... .. .............................................. .. . ........................................................................ .. , і ....... .. H3CYS-PRO-LEU-GLY-NH2.

............................................................................ .., .., .. ....................................... .. INGAN/GAN .................................................................................................. .. ........................................................................................................................ .., .., .. ........................................................ .., .., .. ..................................................................................................... .. ................................................................. .., .., .. ................................................................................. .. .

................................................................................................... .. ....................................... .. .................... .. ........... .. , LC-, ................................................................. .., .. ............................ .. ......................................................................................... .. ............................................................. .. .............................................................................. .., .. .............................................................................. .. ................... .. ............................................................. .., .. .......................................... .. ........ .., .., .. - ......................................................................................................... .. ................... .. -BaB2O4 80 300 ............... .. -BaB2O4 80 300 ............................................ .. Al-Ge58.............................................................. .. ............................................................................... .., .. ....................................................................... .. Ζ i 12 . % Sb, Sn............................................................................................ .. ........................................................ .. FE- .................................................................................. A.. .......................................... .. -..................................................

.................................. ......................................................................................................................... ............................ .., .. 77 ..................................................................................................... .. - ............................................................................................. .. - ˨........................................... . . - SIO2 .................................................................................................................. .., .., .. ....................................................................... . .................................................................................................. .. ................................................................................. .. .......................................................................................... .. Ti-Cr-N ................................................................ .. - ............................... .. ......................................................................... .., .. ........................................................................ .. ......................................................................................................................... .. ...................................................................................... .. ˨ .................................................................................................................. .. .......................................................... .. ....................................................................................... .. ................................................... .. ............................................................................................................. .. ................................................................................................................... .. .................................... .., .. ǒ ۲ 2- 3- .......................................................................... .. ......................................
............................................................................... .. .................................................................................. .. - ........................................................... .. N- ................................ .., .., .. , EU- .................. ., . ..................... .. ......................................................................................... .. .......................................................... .., .. ........................................................................................................................ .. ........................................... .. .......................................................................................... .. ..................................................................................................................... .. .................................................................................................................... .. 6............................. .. Ψ ¨ .................................................... .., .., .. ................................................................ .. , ӻ .................................................................................. .. ............ .. - ......................................................................................................... .. / ...................................................................................................... .., .. - ...................................... .. m- ....................................................................................... .. ........................................................................................................................ . . ..................................................................

................... .. ........................ .., .., .. ....................................................................................................... .., .. ................. .. ............................................................................ .. -................................................................................. .. { (CH 3 )4 }2 ZnCl 4 80 -300 .... N .., .. ............................................................................. .. .... .., .., .. Ö425 300167................................................................... .. ................................ .. .............................................................................................. .. ................................................................. .. ................................................. .., .. o/Cu/Co .................................................................................................... .. .................................................................... .. ............................................................................................. .. - ............................................................................................... .. ..................................................................... .. , .......................................................................................................... .. ................................................. ......................................................................................................... Ǩ............................................................................. .. - .............. .. , , ........ .. - ....................... .. - ............................................................. . ............................

................................................................... .. ................... .. ............................................................................................................ .. - ............................................................................. .. , ............................ .., .. Co/Cu/Co .............................................................................................................. .., .. - ................................................ .., .. Na .................................................... .. - ................................................................................................. .. ............................................................................................. .. , ......................................... .. Al-Li-Mg (1421).............................. .. GaAs:Te ........................... .., .. ..... .. , ........... .., .. ..................................................................................................... .., .. ............................................................................................................ .., .., .. - , .......... .., .. ..... .. - ................................................................. .. ........................................................................................................... ..Ҹ , L ............................................................................................................ .., .. UCuGe .................................................................................................................. DCM . .............. .. CuAlTe2.................................................................................................................... .. .................................................................................................................. .. .................................................................................. .. .......................... .. - ........................................................................ .. .. .. ................................................ .. -...................................................... .. , , ....................................................... .. SIO2 ......................................................................................................... .. iO2 ......................................................................................................... .. .................................. . ........................................................ .. ...................................................... . ................................................................................................................. .. ............................... .. , ......................................................................... .. ....................... .. .................................................. .. LDA+U ...................... .. ............................................................................................................ XI , 23-25 2003 .

.. : .. 02.04.2003. 18.04.2003..

6084/16. 1.

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...15,77. .-..14,96. 120 . .

.

96 02.12.02. . , 39, 230012, .

.

111 29.12.02. . , 39, 230012, .



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