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personal data approved: 2020. XII. 30.
Personal data
Péter Szalay
name Péter Szalay
name of institution
doctoral school
ELTE PhD (doctoral) School of Sociology (Supervisor)
the share of work in the different doctoral schools. ELTE PhD (doctoral) School of Sociology 10%
ELTE György Hevesy Doctoral School of Chemistry 90%
accreditation statement submitted to: Eötvös Loránd University, Budapest
Contact details
E-mail address szalaychem.elte.hu
phone number +36 1 372-2931
own web page
Academic title
scientific degree, title Ph.D.
year degree was obtained 1989
discipline to which degree belongs chemistry
institution granting the degree Universitaet Wien (to be translated)
scientific degree, title DSc
year degree was obtained 1999
discipline to which degree belongs chemistry
institution granting the degree HAS
Employment
1986 - Eötvös Loránd University, Budapest
university professor or researcher
Thesis topic supervisor
number of doctoral students supervised until now 4.5
number of students who fulfilled course requirements 3.5
students who obtained their degrees:
Attila Tajti PhD 2011  DSC-ELTE
(50%) Imre Berente PhD 2008  
Molnár László Füsti PhD 1999  

completed course requirement:
Zoltán Pillió (PhD) 2014/08  DSC-ELTE
present PhD students:
Ahmed Shaalan Alag Al Shahrour (PhD) (2024/08)  DSC-ELTE
Dávid Péter Jelenfi (PhD) (2024/08)  DSC-ELTE
Gergő Papp (PhD) (2024/08)  DSoS
  Thesis topic proposals
Research
research area Quantum chemistry, theory of electronic structure, methods of electron correlation, molecular spectroscopy: excited states, potential energy surfaces, photochemical reactions.
research field in which current research is conducted chemistry
Publications
2020

Matthews Devin A., Cheng Lan, Harding Michael E., Lipparini Filippo, Stopkowicz Stella, Jagau Thomas-C., Szalay Péter G., Gauss Jürgen, Stanton John F.: Coupled-cluster techniques for computational chemistry: The CFOUR program package, JOURNAL OF CHEMICAL PHYSICS 152: (21) 214108
type of document: Journal paper/Article
number of independent citations: 14
language: English
URL 
2018

Tajti A., Stanton J.F., Matthews D.A., Szalay P.G.: Accuracy of Coupled Cluster Excited State Potential Energy Surfaces, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14: (11) pp. 5859-5869.
type of document: Journal paper/Article
number of independent citations: 5
language: English
URL 
2018

Lischka H, Nachtigallova D, Aquino AJA, Szalay PG, Plasser F, Machado FBC, Barbatti M: Multireference Approaches for Excited States of Molecules, CHEMICAL REVIEWS 118: (15) pp. 7293-7361.
type of document: Journal paper/Review paper
number of independent citations: 79
language: English
URL 
2017

Kánnár Dániel, Tajti Attila, Szalay Peter G: Accuracy of Coupled Cluster excitation energies in diffuse basis sets, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13: (1) pp. 202-209.
type of document: Journal paper/Article
number of independent citations: 24
language: English
URL 
2016

Tajti A, Szalay PG: Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12: (11) pp. 5477-5482.
type of document: Journal paper/Article
number of independent citations: 12
language: English
URL 
2014

Kánnár D, Szalay PG: Benchmarking coupled cluster methods on valence singlet excited states, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10: (9) pp. 3757-3765.
type of document: Journal paper/Article
number of independent citations: 68
language: English
URL 
2012

Péter G Szalay, Thomas Müller, Gergely Gidofalvi, Hans Lischka, Ron Shepard: Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications, CHEMICAL REVIEWS 112: pp. 108-181.
type of document: Journal paper/Article
number of independent citations: 346
language: English
URL 
2004

Tajti A, Szalay PG, Császár AG, Kállay M, Gauss J, Valeev EF, Flowers BA, Vazquéz J, Stanton JF: HEAT: High Accuracy Extrapolated Ab Initio Thermochemistry, JOURNAL OF CHEMICAL PHYSICS 121: pp. 11599-11613.
type of document: Journal paper/Article
number of independent citations: 447
language: English
URL 
1995

SZALAY PG, BARTLETT RJ: APPROXIMATELY EXTENSIVE MODIFICATIONS OF THE MULTIREFERENCE CONFIGURATION-INTERACTION METHOD - A THEORETICAL AND PRACTICAL ANALYSIS, JOURNAL OF CHEMICAL PHYSICS 103: (9) pp. 3600-3612.
type of document: Journal paper/Article
number of independent citations: 209
language: English
URL 
1993

SZALAY PG, BARTLETT RJ: Multi-reference averaged quadratic coupled-cluster method: a size-extensive modification of multi-reference CI, CHEMICAL PHYSICS LETTERS 214: (5) pp. 481-488.
type of document: Journal paper/Article
number of independent citations: 366
language: English
URL 
Number of independent citations to these publications:1570 
Scientometric data
list of publications and citations
number of scientific publications that meet accreditation criteria:
137
number of scientific publications:
141
monographs and professional books:
1
monographs/books in which chapters/sections were contributed:
2 
scientific publications published abroad that meet the accreditation criteria:
130
publications not in Hungarian, published in Hungary, meeting the accreditation criteria:
2
number of independent citations to scientific publications and creative works:
6443

 
All rights reserved © 2007, Hungarian Doctoral Council. Doctoral Council registration number at commissioner for data protection: 02003/0001. Program version: 2.2358 ( 2017. X. 31. )