Követés
Surjan Peter
Surjan Peter
Professor of theoretical chemistry
E-mail megerősítve itt: chem.elte.hu
Cím
Hivatkozott rá
Hivatkozott rá
Év
Higher excitations in coupled-cluster theory
M Kállay, PR Surján
The Journal of chemical physics 115 (7), 2945-2954, 2001
7202001
A general state-selective multireference coupled-cluster algorithm
M Kállay, PG Szalay, PR Surján
The Journal of chemical physics 117 (3), 980-990, 2002
2702002
Second quantized approach to quantum chemistry: an elementary introduction
PR Surján
Springer Science & Business Media, 2012
1812012
An observable-based interpretation of electronic wavefunctions: application to “hypervalent” molecules
J Cioslowski, PR Surján
Journal of Molecular Structure: THEOCHEM 255, 9-33, 1992
1691992
An introduction to the theory of geminals
PR Surján
Correlation and localization, 63-88, 1999
162*1999
Computing coupled-cluster wave functions with arbitrary excitations
M Kállay, PR Surján
The Journal of Chemical Physics 113 (4), 1359-1365, 2000
1582000
Monomer geometry relaxation and the basis set superposition error
I Mayer, PR Surjan
Chemical physics letters 191 (5), 497-499, 1992
1301992
Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state
E Rosta, PR Surján
The Journal of chemical physics 116 (3), 878-890, 2002
1102002
NDDO fragment self‐consistent field approximation for large electronic systems
GG Ferenczy, JL Rivail, PR Surján, G Náray‐Szabó
Journal of computational chemistry 13 (7), 830-837, 1992
1081992
Electronic Structure and Optical Absorption of Poly (biisothianaphthene-methine) and Poly (isonaphthothiophene-thiophene): Two Low-band-gap Polymers
J Kürti, PR Surjan, M Kertész
Journal of the American Chemical Society 113 (26), 9865-9867, 1991
991991
On the perturbation of multiconfiguration wave functions
Z Rolik, A Szabados, PR Surján
The Journal of chemical physics 119 (4), 1922-1928, 2003
982003
Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing
V Zólyomi, J Koltai, Á Rusznyák, J Kürti, A Gali, F Simon, H Kuzmany, ...
Physical Review B 77 (24), 245403, 2008
872008
Applied quantum chemistry
G Náray-Szabó
Akadémiai Kiadó, 1987
831987
Improved intermolecular SCF theory and the BSSE problem
I Mayer, PR Surján
International Journal of Quantum Chemistry 36 (3), 225-240, 1989
801989
Scanning tunnelling microscopy (STM) imaging of carbon nanotubes
LP Biró, J Gyulai, P Lambin, JB Nagy, S Lazarescu, GI Márk, A Fonseca, ...
Carbon 36 (5-6), 689-696, 1998
741998
Comparison of low-order multireference many-body perturbation theories
RK Chaudhuri, KF Freed, G Hose, P Piecuch, K Kowalski, M Włoch, ...
The Journal of chemical physics 122 (13), 134105, 2005
702005
Covalent bond orders and atomic valences from correlated wavefunctions
JG Ángyán, E Rosta, PR Surján
Chemical physics letters 299 (1), 1-8, 1999
701999
Strongly orthogonal geminals: size-extensive and variational reference states
PR Surján, Á Szabados, P Jeszenszki, T Zoboki
Journal of Mathematical Chemistry 50, 534-551, 2012
692012
Interruption of conjugations of polyacetylene chains
PR Surján, H Kuzmany
Physical Review B 33 (4), 2615, 1986
681986
The MP2 energy as a functional of the Hartree–Fock density matrix
PR Surján
Chemical physics letters 406 (4-6), 318-320, 2005
672005
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