Surjan Peter
Surjan Peter
Professor of theoretical chemistry
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Higher excitations in coupled-cluster theory
M Kállay, PR Surján
The Journal of Chemical Physics 115 (7), 2945-2954, 2001
A general state-selective multireference coupled-cluster algorithm
M Kállay, PG Szalay, PR Surján
The Journal of chemical physics 117 (3), 980-990, 2002
An observable-based interpretation of electronic wavefunctions: application to “hypervalent” molecules
J Cioslowski, PR Surján
Journal of Molecular Structure: THEOCHEM 255, 9-33, 1992
Second quantized approach to quantum chemistry: an elementary introduction
PR Surján
Springer Science & Business Media, 2012
Computing coupled-cluster wave functions with arbitrary excitations
M Kállay, PR Surján
The Journal of Chemical Physics 113 (4), 1359-1365, 2000
An introduction to the theory of geminals
PR Surján
Correlation and localization, 63-88, 1999
Monomer geometry relaxation and the basis set superposition error
I Mayer, PR Surjan
Chemical physics letters 191 (5), 497-499, 1992
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
Electronic properties of conjugated polymers
RL Elsenbaumer, KY Jen, GG Miller, H Eckhardt, LW Shacklette, R Jow
Kuzmany, H., Mehhring, M., Roth, S., Eds, 400-406, 1987
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
On the perturbation of multiconfiguration wave functions
Z Rolik, Á Szabados, PR Surján
The Journal of chemical physics 119 (4), 1922-1928, 2003
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
Improved intermolecular SCF theory and the BSSE problem
I Mayer, PR Surján
International Journal of Quantum Chemistry 36 (3), 225-240, 1989
Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing
V Zólyomi, J Koltai, Á Rusznyák, J Kürti, Á Gali, F Simon, H Kuzmany, ...
Physical Review B 77 (24), 245403, 2008
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
Applied quantum chemistry
G Náray-Szabó, PR Surján, J Ángyán
D. Reidel, 1987
Covalent bond orders and atomic valences from correlated wavefunctions
JG Ángyán, E Rosta, PR Surján
Chemical physics letters 299 (1), 1-8, 1999
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
Interruption of conjugations of polyacetylene chains
PR Surján, H Kuzmany
Physical Review B 33 (4), 2615, 1986
Localization and delocalization: Distinction between through space and through bond interactions
PR Surján, I Mayer, M Kertész
The Journal of Chemical Physics 77 (5), 2454-2459, 1982
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