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Personal data sheet
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personal data approved: 2024. I. 04.
Personal data
Péter Szalay
name Péter Szalay
name of institution
doctoral school
ELTE PhD (doctoral) School of Sociology (Supervisor)
BME George A. Olah Doctoral School of Chemistry and Chemical Technology
(discipline) Habilitation Comittee and Doctoral Council (external member)
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
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:
(50%) Ádám Barnabás Szirmai (PhD) (2026/08)  DSC-ELTE
(50%) Bónis Barcza (PhD) (2026/08)  DSC-ELTE
Ahmed Shaalan Alag Al Shahrour (PhD) (2024/08)  DSC-ELTE
Dávid Péter Jelenfi (PhD) (2024/08)  DSC-ELTE
(50%) 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
2021

 Tajti Attila, Kozma Balázs, Szalay Péter G: Improved Description of Charge-Transfer Potential Energy Surfaces via Spin-Component-Scaled CC2 and ADC(2) Methods, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17: (1) pp. 439-449.
type of document: Journal paper/Article
number of independent citations: 8
language: English
URL 
2020

 Balazs Kozma, Attila Tajti, Baptiste Demoulin, Robert Izsak, Marcel Nooijen, Péter G Szalay: A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigationof Coupled-Cluster Type Methods, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16: (7) pp. 4213-4225.
type of document: Journal paper/Article
number of independent citations: 39
language: English
URL 
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: 222
language: English
URL 
2020

 Tajti Attila, Tulipán Levente, Szalay Péter G.: Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16: (1) pp. 468-474.
type of document: Journal paper/Article
number of independent citations: 16
language: English
URL 
2019

 Tajti Attila, Szalay Péter G.: Accuracy of spin-component-scaled CC2 excitation energies and potential energy surfaces, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15: (10) pp. 5523-5531.
type of document: Journal paper/Article
number of independent citations: 18
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: 109
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: 549
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: (23) pp. 11599-11613.
type of document: Journal paper/Article
number of independent citations: 540
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: 230
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: 402
language: English
URL 
Number of independent citations to these publications:2133 
Scientometric data
list of publications and citations
number of scientific publications that meet accreditation criteria:
145
number of scientific publications:
149
monographs and professional books:
0
monographs/books in which chapters/sections were contributed:
2 
scientific publications published abroad that meet the accreditation criteria:
138
publications not in Hungarian, published in Hungary, meeting the accreditation criteria:
2
number of independent citations to scientific publications and creative works:
7975

 
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. )