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personal data approved: 2020. XII. 01.
Personal data
Mihály Kállay
name Mihály Kállay
name of institution
doctoral school
BME George A. Olah Doctoral School of Chemistry and Chemical Technology (Core member)
Council of the Doctoral School
(discipline) Habilitation Comittee and Doctoral Council
accreditation statement submitted to: Budapest University of Technology and Economics
Contact details
E-mail address kallaymail.bme.hu
phone number +36 1 463-1623
own web page
Academic title
scientific degree, title Ph.D.
year degree was obtained 2001
discipline to which degree belongs chemistry
institution granting the degree ELTE (to be translated)
scientific degree, title DSc
year degree was obtained 2013
discipline to which degree belongs chemistry
institution granting the degree HAS
scientific degree, title Habilitation
year degree was obtained 2014
discipline to which degree belongs chemistry
institution granting the degree Budapest University of Technology and Economics
Employment
2004 - Budapest University of Technology and Economics
university professor or researcher
Thesis topic supervisor
number of doctoral students supervised until now 0
number of students who fulfilled course requirements 0
students who obtained their degrees:
Dávid Mester PhD 2020  GAODSCC
Bence Hégely PhD 2019  GAODSCC
Gyula Samu PhD 2019  GAODSCC

present PhD students:
József Csóka (PhD) (2023/08)  GAODSCC
  Thesis topic proposals
Research
research area theoretical chemistry
research field in which current research is conducted chemistry
physics
Publications
2020

Kállay Mihály, Nagy Péter R., Mester Dávid, Rolik Zoltán, Samu Gyula, Csontos József, Csóka József, Szabó P. Bernát, Gyevi-Nagy László, Hégely Bence, Ladjánszki István, Szegedy Lóránt, Ladóczki Bence, Petrov Klára, Farkas Máté, Mezei Pál D., Ganyecz Ádám: The MRCC program system: Accurate quantum chemistry from water to proteins, JOURNAL OF CHEMICAL PHYSICS 152: (7) p. 074107.
type of document: Journal paper/Article
number of independent citations: 9
language: English
URL 
2019

Nagy Péter R., Kállay Mihály: Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15: (10) pp. 5275-5298.
type of document: Journal paper/Article
number of independent citations: 13
language: English
URL 
2018

Dávid Mester, Péter R Nagy, Mihály Kállay: Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments, JOURNAL OF CHEMICAL PHYSICS 148: (9) 094111
type of document: Journal paper/Article
number of independent citations: 6
language: English
URL 
2018

Bence Hégely, Péter R Nagy, Mihaly Kallay: Dual basis set approach for density functional and wave function embedding schemes, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14: (9) pp. 4600-4615.
type of document: Journal paper/Article
number of independent citations: 11
language: English
URL 
2018

Péter R Nagy, Gyula Samu, Mihaly Kallay: Optimization of the linear-scaling local natural orbital CCSD(T) method: improved algorithm and benchmark applications, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14: (8) pp. 4193-4215.
type of document: Journal paper/Article
number of independent citations: 18
language: English
URL 
2005

Kallay M, Gauss J: Approximate treatment of higher excitations in coupled-cluster theory, JOURNAL OF CHEMICAL PHYSICS 123: 214105
type of document: Journal paper/Article
number of independent citations: 212
language: English
URL 
2004

Kallay M, Gauss J: Calculation of excited-state properties using general coupled-cluster and configuration-interaction models, JOURNAL OF CHEMICAL PHYSICS 121: pp. 9257-9269.
type of document: Journal paper/Article
number of independent citations: 237
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 
2004

Boese AD, Oren M, Atasoylu O, Martin JML, Kallay M, Gauss J: W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range, JOURNAL OF CHEMICAL PHYSICS 120: pp. 4129-4141.
type of document: Journal paper/Article
number of independent citations: 299
language: English
URL 
2001

Kallay M, Surjan PR: Higher excitations in coupled-cluster theory, JOURNAL OF CHEMICAL PHYSICS 115: pp. 2945-2954.
type of document: Journal paper/Article
number of independent citations: 521
language: English
URL 
Number of independent citations to these publications:1773 
Scientometric data
list of publications and citations
number of scientific publications that meet accreditation criteria:
143
number of scientific publications:
145
monographs and professional books:
1
monographs/books in which chapters/sections were contributed:
1 
scientific publications published abroad that meet the accreditation criteria:
139
publications not in Hungarian, published in Hungary, meeting the accreditation criteria:
1
number of independent citations to scientific publications and creative works:
4997

 
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. )