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About us | qchem.pnpi.spb.ru

Petersburg Nuclear Physics Institute. This activity was initiated by the experimental study of the Parity Non-Conservation (PNC) effects in such molecules as TlF. And started in 1982 with PhD work of A.Titov. Thesis " Effective Potentials and Generalized Brillouin Theorem for electronic states of molecules. Was defended in 1986. In 1996, PhD thesis "Development of Relativistic Effective Core Potential method. In Russian. Brief review of the thesis .dvi file. Now we are working in the following directions.

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Petersburg Nuclear Physics Institute. This activity was initiated by the experimental study of the Parity Non-Conservation (PNC) effects in such molecules as TlF. And started in 1982 with PhD work of A.Titov. Thesis Effective Potentials and Generalized Brillouin Theorem for electronic states of molecules. Was defended in 1986. In 1996, PhD thesis Development of Relativistic Effective Core Potential method. In Russian. Brief review of the thesis .dvi file. Now we are working in the following directions.

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1 qchempnpi spb ru

2 quantum chemistry laboratory

3 about us

4 members

5 cooperation

6 publications

7 conference talks

8 recent posters

9 supplementary

10 core restoration

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About us | qchem.pnpi.spb.ru | qchem.pnpi.spb.ru Reviews

https://qchem.pnpi.spb.ru

Petersburg Nuclear Physics Institute. This activity was initiated by the experimental study of the Parity Non-Conservation (PNC) effects in such molecules as TlF. And started in 1982 with PhD work of A.Titov. Thesis " Effective Potentials and Generalized Brillouin Theorem for electronic states of molecules. Was defended in 1986. In 1996, PhD thesis "Development of Relativistic Effective Core Potential method. In Russian. Brief review of the thesis .dvi file. Now we are working in the following directions.

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qchem.pnpi.spb.ru

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Core Restoration | qchem.pnpi.spb.ru

http://qchem.pnpi.spb.ru/var

Skip to main content. A V Titov, N. S. Mosyagin, A.N. Petrov, T.A. Isaev and D. DeMille. Study of parity violation effects in polar heavy-atom molecules. In: Recent Advances in the Theory of Chemical and Physical Systems ["Progress in Theoretical Chemistry and Physics" series], Ed: J.-P. Julien, J.Maruani, D. Mayou, S.Wilson and G.Delgado-Barrio, v.15. Chapt2, pp. 253-284;. Pdf file, for local use. A V Titov, N. S. Mosyagin, A. N. Petrov and T.A. Isaev. Int Journal of Quantum Chemistry, 104.

2

Supplementary Materials | qchem.pnpi.spb.ru

http://qchem.pnpi.spb.ru/supplementary

Skip to main content. Supplementary data for "Relativistic density functional theory modeling of plutonium and americium higher oxide molecules".

3

about: Anatoly Vladimirovich Titov | qchem.pnpi.spb.ru

http://qchem.pnpi.spb.ru/Tolya

Skip to main content. About: Anatoly Vladimirovich Titov. Leading researcher, Dept. of Theoretical Physics, St.Petersburg State University; Head of Quantum Chemistry Lab, Department of Innovations, Petersburg Nuclear Physics Institute; Gatchina, Leningrad district, Russia. Citizen of Russia; born in Apatity, Murmansk district, Russia. Doctor of Science on Theoretical Physics, Petersburg Nuclear Physics Institute, St.-Petersburg, 2003;. Have a son (1996). Autoreferat of the thesis in PDF.

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User account | qchem.pnpi.spb.ru

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About us | qchem.pnpi.spb.ru

http://qchem.pnpi.spb.ru/aboutus

Skip to main content. Petersburg Nuclear Physics Institute. This activity was initiated by the experimental study of the Parity Non-Conservation (PNC) effects in such molecules as TlF. And started in 1982 with PhD work of A.Titov. Thesis " Effective Potentials and Generalized Brillouin Theorem for electronic states of molecules. Was defended in 1986. In 1996, PhD thesis "Development of Relativistic Effective Core Potential method. In Russian. Brief review of the thesis .dvi file. Molecular calculations a...

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rel.kintechlab.com

relativistic electronic structure calculations

http://rel.kintechlab.com/index.html

Relativistic electronic structure calculations for molecules and clusters. Petersburg nuclear physics institute. The research project aims to develop, implement and apply new tools for relativistic calculations on excited electronic states and electronic transition properties for molecules containing heavy-element atoms and low-lying states of superheavy-element (transactinide) compounds within the spin-dependent core pseudopotential model. We would like to achieve at. Many-body / DFT schemes. Excited st...

fock.phys.spbu.ru

Кафедра квантовой механики

http://fock.phys.spbu.ru/seminar.htm

Семинар кафедры квантовой механики проводится по пятницам в 13.20 в аудитории 427, НИИФ, корпус "И". Семинар кафедры квантовой механики. 24 июня 2016 г. Начало семинара в 15.00. Семинар кафедры квантовой механики. 17 июня 2016 г. Начало семинара в 12.00. Название диссертации: Принцип запрета для фотонов и трёхфотонные переходы в атоме гелия. Название диссертации: Отношения ренормированных констант связи для трехмерной скалярной теории типа λ-φ-4 и псевдо-ε-разложение. Семинар кафедры квантовой механики.

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conferences, meetings ...

http://rel.kintechlab.com/confs.html

Relativistic electronic structure calculations for molecules and clusters. Petersburg nuclear physics institute. Conferences, meetings . Zaitsevskii A., van Wuellen C., Mosyagin N., Rykova E., Titov A. Physics and chemistry of superheavy elements: toward the end of the seventh period. Lecture on the XLIV PNPI Winter school. Roshchino, Russia, 9-14 March 2010. ( presentation, pdf (in Russian). Zaitsevskii A.V., van Wuellen C., Mosyagin N.S., Petrov A.N., Titov A.V. Chem...Zaitsevskii A.V., Rykova ...Mosya...

rel.kintechlab.com

superheavy elements

http://rel.kintechlab.com/she.html

Relativistic electronic structure calculations for molecules and clusters. Petersburg nuclear physics institute. Comparative study of electronic structure of simple diatomics comprising element 112 (eka-Hg) and Hg ( Zaitsevskii et al. 2006. Mosyagin et al. 2006. Click to see the presentation, pdf). Zaitsevskii et al. 2006-2. Click to see the presentation, pdf). Relativistic pseudopotential / two-component DFT calculations on interactions of eka-Hg and eka-Pb with gold clusters ( Rykova et al. 2006.

rel.kintechlab.com

relativistic intermediate Hamiltonians

http://rel.kintechlab.com/heffso.html

Relativistic electronic structure calculations for molecules and clusters. Petersburg nuclear physics institute. Relativistic State-Selective (Intermediate) Effective Hamiltonian Method. We work within the relativistic effective pseudopotential (REP) model (see e.g. [1,2]), defining the quasirelativistic many-electron valence-shell molecular Hamiltonian as. Where the total pseudopotential operator W. Consist of semilocal atomic contributions dependent on the one-electron total angular momentum j. Constru...

rel.kintechlab.com

bases for rpp calculations

http://rel.kintechlab.com/bas.html

Relativistic electronic structure calculations for molecules and clusters. Petersburg nuclear physics institute. Basis sets for one- and two-component calculations with gatchina small-core shape-consistent relativistic pseudopotentials. Aarusakov, a.zaitsevskii. 229-251 (2006), http:/ www.qchem.pnpi.spb.ru/recp. These pseudopotentials correspond to small (60 and 92 electrons for sixth and seventh row elements respectively) atomic cores and are optimized to reproduce "valence" shells (n-1) d. The bases fo...

id.pnpi.spb.ru

Квантовая химия

http://id.pnpi.spb.ru/osnovnye-napravleniya/modelirovanie-khimicheskikh-soedinenij-i-ikh-vzaimodejstviya-s-elektromagnitnymi-polyami.html

Исследования на российской станции Восток в Антарктиде. Адронная терапия и ядерная медицина. Отдел информационных технологий и автоматизации. Научные исследования на ускорителе. Разработка информационно-вычислительных систем для ядерной физики. Развитие и поддержка телекоммуникационных и вычислительных ресурсов. Антарктида - новые методы и техника для научных исследований. Голографические информационные и измерительные системы. Возникла два десятилетия назад в лаборатории молекулярных и атомных пучков.

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qchem.pnpi.spb.ru

About us | qchem.pnpi.spb.ru

Petersburg Nuclear Physics Institute. This activity was initiated by the experimental study of the Parity Non-Conservation (PNC) effects in such molecules as TlF. And started in 1982 with PhD work of A.Titov. Thesis " Effective Potentials and Generalized Brillouin Theorem for electronic states of molecules. Was defended in 1986. In 1996, PhD thesis "Development of Relativistic Effective Core Potential method. In Russian. Brief review of the thesis .dvi file. Now we are working in the following directions.

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Уфимское квантовохимическое общество

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