CCCC > Archive > Authors > Pavel Neogrády
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Pavel Neogrády
- Michal Pitoňák*, Francesco Aquilante, Pavel Hobza, Pavel Neogrády, Jozef Noga and Miroslav Urban
Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
2011, Vol. 76, Issue 6, pp. 713–742
[Abstract]
- Filip Holka, Pavel Neogrády, Miroslav Urban* and Josef Paldus
Hartree-Fock Stability and Broken Symmetry Solutions of O2- and S2- Anions in External Confinement
2007, Vol. 72, Issue 2, pp. 197–222
[Abstract]
- Pavel Neogrády, Péter G. Szalay, Wolfgang P. Kraemer and Miroslav Urban*
Coupled-Cluster Study of Spectroscopic Constants of the Alkali Metal Diatomics: Ground and the Singlet Excited States of Na2, NaLi, NaK, and NaRb
2005, Vol. 70, Issue 7, pp. 951–978
[Abstract]
- Ivan Černušák*, Alena Zavažanová, Juraj Raab and Pavel Neogrády
Group IIIa Hydrides XH2 and XH2- (X = B, Al, Ga): Electron Affinities and Singlet-Triplet Splittings Revisited
2003, Vol. 68, Issue 1, pp. 75–88
[Abstract]
- Miroslav Urban, Pavel Neogrády, Juraj Raab and Geerd H. F. Diercksen
Accuracy Assessment of the ROHF-CCSD(T) Calculationsof Dipole Moments of Small Radicals
1998, Vol. 63, Issue 9, pp. 1409–1430
[Abstract]
