Size-extensivity correction for the state-specific multireference Brillouin–Wigner coupled-cluster theory I Hubač, J Pittner, P Čársky
The Journal of Chemical Physics 112 (20), 8779-8784, 2000
213 2000 Assessment of the single-root multireference Brillouin–Wigner coupled- cluster method: Test calculations on J Pittner, P Nachtigall, P Čársky, J Mášik, I Hubač
The Journal of chemical physics 110 (21), 10275-10282, 1999
201 1999 Multireference Brillouin-Wigner Coupled-Cluster Theory. Single-root approach. J Mášik, I Hubač
Advances in quantum chemistry 31, 75-104, 1998
183 1998 Single-root multireference Brillouin-Wigner coupled-cluster theory: Applicability to the J Mášik, I Hubač, P Mach
The Journal of chemical physics 108 (16), 6571-6579, 1998
133 1998 Correlation effects in the low–lying excited states of the PPP models of alternant hydrocarbons. I. Qualitative rules for the effect of limited configuration interaction J Čížek, J Paldus, I Hubač
International Journal of Quantum Chemistry 8 (6), 951-970, 1974
119 1974 Brillouin-Wigner methods for many-body systems I Hubač, S Wilson, I Hubač, S Wilson
Brillouin-Wigner Methods for Many-Body Systems, 133-189, 2010
116 2010 Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin … JC Sancho-Garcı́a, J Pittner, P Čársky, I Hubač
The Journal of Chemical Physics 112 (20), 8785-8788, 2000
111 2000 Correlation energy of open-shell systems. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism I Hubač, P Čársky
Physical Review A 22 (6), 2392, 1980
103 1980 The fourth order diagrammatic MB‐RSPT calculations of the correlation energy of ten electron systems M Urban, I Hubac̆, V Kellö, J Noga
The Journal of Chemical Physics 72 (5), 3378-3385, 1980
103 1980 Size-consistent Brillouin-Wigner perturbation theory with an exponentially parametrized wave function: Brillouin-Wigner coupled-cluster theory I Hubač, P Neogrády
Physical Review A 50 (6), 4558, 1994
96 1994 Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems P Neogrády, M Urban, I Hubac̆
The Journal of chemical physics 100 (5), 3706-3716, 1994
91 1994 On the use of Brillouin-Wigner perturbation theory for many-body systems I Hubac, S Wilson
Journal of Physics B: Atomic, Molecular and Optical Physics 33 (3), 365, 2000
83 2000 State-Specific Brillouin− Wigner Multireference Coupled Cluster Study of the Singlet− Triplet Separation in the Tetramethyleneethane Diradical J Pittner, P Nachtigall, P Čársky, I Hubač
The Journal of Physical Chemistry A 105 (8), 1354-1356, 2001
82 2001 Computational methods of correlation energy I Hubač, P Čársky
Organic Chemistry and Theory, 97-164, 2006
71 2006 Single-root multireference Brillouin-Wigner coupled-cluster theory. Rotational barrier of the N2H2 molecule MJMJANU PAVEL, I HUBAC
Molecular Physics 94 (1), 173-179, 1998
60 1998 Application of many-body rayleigh-schrödinger perturbation theory to calculation of ionization potentials and electron affinities I Hubač, V Kvasnička, A Holubec
Chemical Physics Letters 23 (3), 381-385, 1973
60 1973 State-specific Brillouin–Wigner multireference coupled cluster study of the F2 molecule: Assessment of the a posteriori size-extensivity correction J Pittner, J Šmydke, P Čársky, I Hubač
Journal of Molecular Structure: THEOCHEM 547 (1-3), 239-244, 2001
59 2001 Quantum Systems in Chemistry and Physics: Trends in Methods and Applications J Mášik, I Hubač, R McWeeny, J Maruani, YG Smeyers, S Wilson
McWeeny, R, 283-308, 1997
56 1997 On the ground states of CaC and ZnC: A multireference Brillouin–Wigner coupled cluster study ISK Kerkines, J Pittner, P Čársky, A Mavridis, I Hubač
The Journal of chemical physics 117 (21), 9733-9739, 2002
52 2002 Four‐and 8‐reference state‐specific Brillouin–Wigner coupled‐cluster method: study of the singlet oxygen J Pittner, P Čársky, I Hubač
International journal of quantum chemistry 90 (3), 1031-1037, 2002
45 2002 