TY  - JOUR
AU  - Kádas, Krisztina
AU  - Kugler, Sándor
TI  - Impurity levels in phosphorus- and boron-doped amorphous silicon
JF  - PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER ELECTRONIC, OPTICAL AND MAGNETIC PROPERTIES
J2  - PHILOS MAG B - PHYS CONDENS MATTER ELECTRON OPT MAGN PROP
VL  - 76
PY  - 1997
IS  - 3
SP  - 281
EP  - 285
PG  - 5
SN  - 0141-8637
UR  - https://m2.mtmt.hu/api/publication/1710993
ID  - 1710993
N1  - ID: ISI:A1997XU82700005
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Kádas, Krisztina
AU  - Kugler, Sándor
TI  - Midgap states in nitrogen doped diamond-like amorphous carbon
JF  - SOLID STATE COMMUNICATIONS
J2  - SOLID STATE COMMUN
VL  - 102
PY  - 1997
IS  - 10
SP  - 721
EP  - 723
PG  - 3
SN  - 0038-1098
DO  - 10.1016/S0038-1098(97)00102-6
UR  - https://m2.mtmt.hu/api/publication/1710994
ID  - 1710994
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - K, Kadas
AU  - Kugler, Sándor
TI  - Impurity levels in phosphorus- and boron-doped amorphous silicon
JF  - PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES
J2  - PHILOS MAG B - PHYS CONDENS MATTER STAT MECH ELECTRON OPT MAGN PROP
VL  - 76
PY  - 1997
IS  - 3
SP  - 281
EP  - 285
PG  - 5
SN  - 1364-2812
DO  - 10.1080/01418639708241093
UR  - https://m2.mtmt.hu/api/publication/2649068
ID  - 2649068
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Kádas, Krisztina
AU  - László, István
AU  - Kugler, Sándor
TI  - Atomic structure and electronic density of states around the Fermi level in amorphous carbon models
JF  - SOLID STATE COMMUNICATIONS
J2  - SOLID STATE COMMUN
VL  - 97
PY  - 1996
IS  - 7
SP  - 631
EP  - 634
PG  - 4
SN  - 0038-1098
DO  - 10.1016/0038-1098(95)00678-8
UR  - https://m2.mtmt.hu/api/publication/1710999
ID  - 1710999
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Kádas, Krisztina
AU  - László, István
AU  - Kugler, Sándor
TI  - Topologically determined midgap states in amorphous carbon: Five- and sevenfold rings
JF  - JOURNAL OF NON-CRYSTALLINE SOLIDS
J2  - J NON-CRYST SOLIDS
VL  - 200
PY  - 1996
IS  - Part 1
SP  - 91
EP  - 93
PG  - 3
SN  - 0022-3093
DO  - 10.1016/0022-3093(95)00641-9
UR  - https://m2.mtmt.hu/api/publication/1710997
ID  - 1710997
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Ferenczy, György
AU  - Rivail, JL
AU  - Surján, Péter
AU  - Náray-Szabó, Gábor
TI  - NDDO Fragment Self-consistent Field Approximation For Large Electronic Systems
JF  - JOURNAL OF COMPUTATIONAL CHEMISTRY
J2  - J COMPUT CHEM
VL  - 13
PY  - 1992
IS  - 7
SP  - 830
EP  - 837
PG  - 8
SN  - 0192-8651
DO  - 10.1002/jcc.540130706
UR  - https://m2.mtmt.hu/api/publication/1103631
ID  - 1103631
N1  - Laboratoire de Chimie Thérique, Université de Nancy I, B.P. 239, Vandoeuvre-Lès-Nancy, F-54506, France            
            Department of Theoretical Chemistry, Eötvös University Budapest, P.O. Box 32, Budapest, H-1518 112, Hungary            
            Cited By :82            
            Export Date: 13 March 2024            
            Correspondence Address: Rivail, J.‐L.; Laboratoire de Chimie Thérique, B.P. 239, Vandoeuvre-Lès-Nancy, F-54506, France
AB  - A semi-empirical NDDO method, generalized from a similar scheme at the CNDO/2 level developed previously, is presented to treat very large molecules. The extended molecular system is divided into a relatively small subsystem where substantial chemical changes take place and an environment remaining more-or-less unperturbed during the process. Expanding the wave function on an atomic hybrid basis an SCF procedure is performed for the subsystem in the field of the iteratively determined electronic distribution of the environment. A computer program has been written for the IBM RISC System/6000 530 computer and several test calculations were done for a variety of large classical molecules, like substituted aliphatic hydrocarbons, water oligomers, and a heptapeptide. Protonation energies, proton transfer potential curves, rotational barriers, atomic net charges, and HOMO and LUMO energies, as computed by the exact version of the NDDO method, are fairly well reproduced by our approximation if the subsystem is appropriately defined.
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Kugler, Sándor
AU  - Molnár, György
AU  - Pető, Gábor
AU  - Zsoldos, Éva
AU  - Rosta, László
AU  - Menelle, A
AU  - Bellissent, R
TI  - Neutron-diffraction study of the structure of evaporated pure amorphous -silicon
JF  - PHYSICAL REVIEW B
J2  - PHYS REV B
VL  - 40
PY  - 1989
IS  - 11
SP  - 8030
EP  - 8032
PG  - 3
SN  - 2469-9950
DO  - 10.1103/PhysRevB.40.8030
UR  - https://m2.mtmt.hu/api/publication/1226069
ID  - 1226069
LA  - English
DB  - MTMT
ER  -