| 000 | 02963nlm1a2200505 4500 | ||
|---|---|---|---|
| 001 | 665881 | ||
| 005 | 20231030042018.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\37085 | ||
| 035 | _aRU\TPU\network\37031 | ||
| 090 | _a665881 | ||
| 100 | _a20211122a2017 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aUS | ||
| 135 | _adrgn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aNumerical Study of the Rutile Band Structure by the Hartree–Fock–Roothaan Method in the CO LCAO Approximation using the Cyclic Cluster Model _fM. A. Kazaryan, S. G. Kuznetsov, A. V. Obkhodskiy, A. S. Popov |
|
| 203 |
_aText _celectronic |
||
| 300 | _aTitle screen | ||
| 320 | _a[References: 11 tit.] | ||
| 330 | _aThe technique for calculatingmaterial characteristicswith the aid of theHartree–Fock–Roothaan method in the CO LCAO approximation using the cyclic clustermodel is considered. The results of the numerical study are verified for the TiO2 system. The band gap minimum (2.9 eV) is calculated for the system under consideration. | ||
| 333 | _aРежим доступа: по договору с организацией-держателем ресурса | ||
| 461 | _tBulletin of the Lebedev Physics Institute | ||
| 463 |
_tVol. 44, iss. 3 _v[P. 77-80] _d2017 |
||
| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 610 | 1 | _acrystal | |
| 610 | 1 | _amethod for calculating properties | |
| 610 | 1 | _arutile | |
| 610 | 1 | _acyclic cluster | |
| 610 | 1 | _asoftware package | |
| 610 | 1 | _aкластеры | |
| 610 | 1 | _aметод Хартри-Фока-Рутана | |
| 610 | 1 | _aкристаллы | |
| 610 | 1 | _aрутил | |
| 610 | 1 | _aкластерные модели | |
| 701 | 1 |
_aKazaryan _bM. A. _gMishik Ayrazatovich |
|
| 701 | 1 |
_aKuznetsov _bS. G. _gSergey Gennadjevich |
|
| 701 | 1 |
_aObkhodskiy _bA. V. _cspecialist in the field of nuclear power engineering _cAssociate Professor of Tomsk Polytechnic University, Candidate of technical science _f1982- _gArtem Viktorovich _2stltpush _3(RuTPU)RU\TPU\pers\32672 |
|
| 701 | 1 |
_aPopov _bA. S. _cphysicist _cDesign Engineer of Tomsk Polytechnic University _f1992- _gAleksandr Sergeevich _2stltpush _3(RuTPU)RU\TPU\pers\38306 |
|
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет _bИсследовательская школа физики высокоэнергетических процессов _c(2017- ) _h8118 _2stltpush _3(RuTPU)RU\TPU\col\23551 |
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет _bИнженерная школа ядерных технологий _bОтделение ядерно-топливного цикла _h7864 _2stltpush _3(RuTPU)RU\TPU\col\23554 |
| 801 | 2 |
_aRU _b63413507 _c20211122 _gRCR |
|
| 856 | 4 | _uhttps://doi.org/10.3103/S106833561703006X | |
| 942 | _cCF | ||