검색결과 : 18건
| No. | Article |
|---|---|
| 1 |
Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes Nagy PR, Koltai J, Surjan PR, Kurti J, Szabados A Journal of Physical Chemistry A, 120(28), 5527, 2016 |
| 2 |
Zero-field-splitting in triplet-state nanotubes Szakacs P, Szabados A, Surjan PR Chemical Physics Letters, 498(4-6), 292, 2010 |
| 3 |
Frozen localized molecular orbitals in electron correlation calculations - Exploiting the Hartree-Fock density matrix Surjan PR, Kohalmi D, Rolik Z, Szabados A Chemical Physics Letters, 450(4-6), 400, 2008 |
| 4 |
Natural orbitals in CIS and singular-value decomposition Surjan PR Chemical Physics Letters, 439(4-6), 393, 2007 |
| 5 |
Diagonalization-free initial guess to SCF calculations for large molecules Szekeres Z, Mezey PG, Surjan PR Chemical Physics Letters, 424(4-6), 420, 2006 |
| 6 |
Direct determination of fragment localized molecular orbitals and the orthogonality constraint Szekeres Z, Surjan PR Chemical Physics Letters, 369(1-2), 125, 2003 |
| 7 |
On the perturbation of multiconfiguration wave functions Rolik Z, Szabados A, Surjan PR Journal of Chemical Physics, 119(4), 1922, 2003 |
| 8 |
On the Use of Connected Moments Expansion with Coupled Cluster Reference Noga J, Szabados A, Surjan PR International Journal of Molecular Sciences, 3(5), 508, 2002 |
| 9 |
Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state Rosta E, Surjan PR Journal of Chemical Physics, 116(3), 878, 2002 |
| 10 |
A general state-selective multireference coupled-cluster algorithm Kallay M, Szalay PG, Surjan PR Journal of Chemical Physics, 117(3), 980, 2002 |