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1

Structure and properties of defects in amorphous silica: new insights from embedded cluster calculations

Sushko, Peter V, Mukhopadhyay, Sanghamitra, Mysovsky, Andrey S, Sulimov, Vladimir B, Taga, Adrian, Shluger, Alexander L

Journal:

Journal of Physics Condensed Matter

Year:

2005

Language:

english

File:

PDF, 716 KB

english, 2005

2

Spectral representation of Hartree-Fock exchange operator

Andrey S. Mysovsky

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 516 KB

english, 2012

3

Impurity Luminescence in ${\rm BaF} _{2}$:${\rm Y} ^{3+}$ and ${\rm BaF} _{2}$:${\rm Yb}^{3+}$ Crystals

Myasnikova, Alexandra S., Radzhabov, Evgeny A., Mysovsky, Andrey S., Shagun, Vladimir A.

Journal:

IEEE Transactions on Nuclear Science

Year:

2008

Language:

english

File:

PDF, 664 KB

english, 2008

4

crystals from ab initio embedded cluster calculations

Mysovsky, Andrey S., Sushko, Peter V., Radzhabov, Evgeny A., Reichling, Michael, Shluger, Alexander L.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 617 KB

english, 2011

5

Calibration of embedded-cluster method for defect studies in amorphous silica

Mysovsky, Andrey S., Sushko, Peter V., Mukhopadhyay, Sanghamitra, Edwards, Arthur H., Shluger, Alexander L.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 250 KB

english, 2004

6

Calculation of Charge-Transfer Absorption in CaF$_{2}$ and SrF$_{2}$ Crystals With Eu$^{3+}$ and Yb$^{3+}$ Impurities

Myasnikova, Alexandra, Radzhabov, Evgeny, Mysovsky, Andrey

Journal:

IEEE Transactions on Nuclear Science

Year:

2010

Language:

english

File:

PDF, 199 KB

english, 2010

7

The Refinement of Self-Trapped Excitons Structure in CaF$_{2}$ and SrF$_{2}$ Crystals: An Ab Initio Study

Mysovsky, Andrey, Radzhabov, Evgeny

Journal:

IEEE Transactions on Nuclear Science

Year:

2010

Language:

english

File:

PDF, 240 KB

english, 2010

8

Modelling the structure of Zr-rich Pb(Zr1−xTix)O3, x=0.4 with a multiphase approach

Bogdanov, Alexander, Mysovsky, Andrey, Pickard, Chris J., Kimmel, Anna

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.97 MB

english, 2016

9

Ab initio and atomistic simulation of local structure and defect segregation on the tilt grain boundaries in silicon

Lazebnykh, Vitaly Yu., Mysovsky, Andrey S.

Journal:

Journal of Applied Physics

Year:

2015

Language:

english

File:

PDF, 1.70 MB

english, 2015

10

Multiphase modelling of Pb(Zr 1-x Ti x )O 3 structure

Bogdanov, Alexander, Mysovsky, Andrey, Pickard, Chris, Kimmel, Anna V.

Journal:

Year:

2017

Language:

english

File:

PDF, 865 KB

english, 2017