| Year |
Citation |
Score |
| 2018 |
Veis L, Antalík A, Legeza Ö, Alavi A, Pittner J. The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies. Journal of Chemical Theory and Computation. 14: 2439-2445. PMID 29570291 DOI: 10.1021/acs.jctc.8b00022 |
0.308 |
|
| 2018 |
Brabec J, Lang J, Saitow M, Pittner J, Neese F, Demel O. Domain-based Local Pair Natural Orbital version of Mukherjee's state specific coupled cluster method. Journal of Chemical Theory and Computation. PMID 29345924 DOI: 10.1021/Acs.Jctc.7B01184 |
0.307 |
|
| 2013 |
Demel O, Kedžuch S, Noga J, Pittner J. Perturbative triples correction for explicitly correlated Mukherjee’s state-specific coupled cluster method Molecular Physics. 111: 2477-2488. DOI: 10.1080/00268976.2013.809488 |
0.344 |
|
| 2012 |
Brabec J, Bhaskaran-Nair K, Govind N, Pittner J, Kowalski K. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations. The Journal of Chemical Physics. 137: 171101. PMID 23145708 DOI: 10.1063/1.4764355 |
0.351 |
|
| 2012 |
Bhaskaran-Nair K, Brabec J, Aprà E, van Dam HJ, Pittner J, Kowalski K. Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism. The Journal of Chemical Physics. 137: 094112. PMID 22957560 DOI: 10.1063/1.4747698 |
0.374 |
|
| 2012 |
Brabec J, van Dam HJ, Pittner J, Kowalski K. Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations. The Journal of Chemical Physics. 136: 124102. PMID 22462830 DOI: 10.1063/1.3692969 |
0.331 |
|
| 2012 |
Demel O, Kedžuch S, Švaňa M, Ten-no S, Pittner J, Noga J. An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications. Physical Chemistry Chemical Physics : Pccp. 14: 4753-62. PMID 22378180 DOI: 10.1039/c2cp23198k |
0.301 |
|
| 2012 |
Brabec J, Bhaskaran-Nair K, Kowalski K, Pittner J, Van Dam HJJ. Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes Chemical Physics Letters. 542: 128-133. DOI: 10.1016/j.cplett.2012.05.064 |
0.332 |
|
| 2012 |
Šimsa D, Demel O, Bhaskaran-Nair K, Hubač I, Mach P, Pittner J. Multireference coupled cluster study of the oxyallyl diradical Chemical Physics. 401: 203-207. DOI: 10.1016/J.CHEMPHYS.2011.08.018 |
0.345 |
|
| 2011 |
Kedžuch S, Demel O, Pittner J, Ten-no S, Noga J. Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations Chemical Physics Letters. 511: 418-423. DOI: 10.1016/J.CPLETT.2011.06.023 |
0.31 |
|
| 2010 |
Demel O, Bhaskaran-Nair K, Pittner J. Uncoupled multireference state-specific Mukherjee's coupled cluster method with triexcitations. The Journal of Chemical Physics. 133: 134106. PMID 20942522 DOI: 10.1063/1.3495679 |
0.32 |
|
| 2010 |
Barbatti M, Pittner J, Pederzoli M, Werner U, Mitrić R, Bonačić-Koutecký V, Lischka H. Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy Chemical Physics. 375: 26-34. DOI: 10.1016/J.Chemphys.2010.07.014 |
0.498 |
|
| 2009 |
Carpenter BK, Pittner J, Veis L. Ab initio calculations on the formation and rearrangement of spiropentane. The Journal of Physical Chemistry. A. 113: 10557-63. PMID 19737001 DOI: 10.1021/Jp905368B |
0.359 |
|
| 2008 |
Demel O, Pittner J. Multireference Brillouin-Wigner coupled cluster method with singles, doubles, and triples: efficient implementation and comparison with approximate approaches. The Journal of Chemical Physics. 128: 104108. PMID 18345878 DOI: 10.1063/1.2832865 |
0.309 |
|
| 2007 |
Pittner J, Smydke J. Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method. The Journal of Chemical Physics. 127: 114103. PMID 17887824 DOI: 10.1063/1.2770705 |
0.304 |
|
| 2006 |
Brabec J, Pittner J. The singlet-triplet gap in trimethylenmethane and the ring-opening of methylenecyclopropane: a multireference Brillouin-Wigner coupled cluster study. The Journal of Physical Chemistry. A. 110: 11765-9. PMID 17034171 DOI: 10.1021/jp057546y |
0.303 |
|
| 2006 |
Mitrić R, Bonacić-Koutecký V, Pittner J, Lischka H. Ab initio nonadiabatic dynamics study of ultrafast radiationless decay over conical intersections illustrated on the Na3F cluster. The Journal of Chemical Physics. 125: 24303. PMID 16848580 DOI: 10.1063/1.2209233 |
0.575 |
|
| 2006 |
Demel O, Pittner J. Multireference Brillouin-Wigner coupled clusters method with noniterative perturbative connected triples. The Journal of Chemical Physics. 124: 144112. PMID 16626185 DOI: 10.1063/1.2192508 |
0.315 |
|
| 2006 |
Zechmann G, Barbatti M, Lischka H, Pittner J, Bonačić-Koutecký V. Multiple pathways in the photodynamics of a polar π-bond: A case study of silaethylene Chemical Physics Letters. 418: 377-382. DOI: 10.1016/J.Cplett.2005.11.015 |
0.478 |
|
| 2005 |
Bonačić-Koutecký V, Mitrić R, Bürgel C, Noack H, Hartmann M, Pittner J. Tailoring the chemical reactivity and optical properties of clusters by size, structures and lasers The European Physical Journal D. 34: 113-118. DOI: 10.1140/EPJD/E2005-00098-4 |
0.558 |
|
| 2005 |
Kardahakis S, Pittner J, Čársky P, Mavridis A. Multireference configuration interaction and coupled-cluster calculations on the X3Σ−, a1Δ, and b1Σ+ states of the NF molecule International Journal of Quantum Chemistry. 104: 458-467. DOI: 10.1002/Qua.20618 |
0.321 |
|
| 2004 |
Demel O, Pittner J, Čársky P, Hubač I. Multireference Brillouin−Wigner Coupled Cluster Singles and Doubles Study of the Singlet−Triplet Separation in Alkylcarbenes† The Journal of Physical Chemistry A. 108: 3125-3128. DOI: 10.1021/JP037135M |
0.328 |
|
| 2003 |
Mitrić R, Hartmann M, Pittner J, Bonačić-Koutecký V. New strategy for optimal control of femtosecond pump-dump processes applicable to systems of moderate complexity European Physical Journal D. 24: 177-180. DOI: 10.1140/epjd/e2003-00122-9 |
0.41 |
|
| 2002 |
Vajda S, Lupulescu C, Merli A, Budzyn F, Wöste L, Hartmann M, Pittner J, Bonacić-Koutecký V. Observation and theoretical description of periodic geometric rearrangement in electronically excited nonstoichiometric sodium-fluoride clusters. Physical Review Letters. 89: 213404. PMID 12443410 DOI: 10.1103/Physrevlett.89.213404 |
0.543 |
|
| 2002 |
Kerkines ISK, Pittner J, Čársky P, Mavridis A, Hubač I. On the ground states of CaC and ZnC: A multireference Brillouin–Wigner coupled cluster study Journal of Chemical Physics. 117: 9733-9739. DOI: 10.1063/1.1516809 |
0.306 |
|
| 2002 |
Pittner J, Čársky P, Hubač I. Four- and 8-reference state-specific Brillouin-Wigner coupled-cluster method: Study of the singlet oxygen International Journal of Quantum Chemistry. 90: 1031-1037. DOI: 10.1002/QUA.10325 |
0.324 |
|
| 2001 |
Pittner J, Demel O, Čársky P, Hubač I. Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule International Journal of Molecular Sciences. 2: 281-290. DOI: 10.3390/I2060281 |
0.365 |
|
| 2001 |
Hartmann M, Pittner J, Bonačić-Koutecký V. Ab initio nonadiabatic dynamics involving conical intersection combined with Wigner distribution approach to ultrafast spectroscopy illustrated on Na3F2 cluster Journal of Chemical Physics. 114: 2123-2136. DOI: 10.1063/1.1336142 |
0.389 |
|
| 2001 |
Hartmann M, Pittner J, Bonačić-Koutecký V. Ab initio adiabatic dynamics involving excited states combined with Wigner distribution approach to ultrafast spectroscopy illustrated on alkali halide clusters The Journal of Chemical Physics. 114: 2106-2122. DOI: 10.1063/1.1336141 |
0.427 |
|
| 2001 |
Pittner J, Nachtigall P, Čársky P, Hubač I. State-Specific Brillouin−Wigner Multireference Coupled Cluster Study of the Singlet−Triplet Separation in the Tetramethyleneethane Diradical The Journal of Physical Chemistry A. 105: 1354-1356. DOI: 10.1021/JP0032199 |
0.357 |
|
| 2001 |
Pittner J, Šmydke J, Čársky P, Hubač I. State-specific Brillouin–Wigner multireference coupled cluster study of the F2 molecule: assessment of the a posteriori size-extensivity correction Journal of Molecular Structure: Theochem. 547: 239-244. DOI: 10.1016/S0166-1280(01)00473-0 |
0.304 |
|
| 2001 |
Bonačić-Koutecký V, Hartmann M, Pittner J. Theoretical exploration of ultrafast spectroscopy of small clusters The European Physical Journal D. 16: 133-138. DOI: 10.1007/S100530170077 |
0.587 |
|
| 2001 |
Bona?i?-Kouteck� V, Hartmann M, Pittner J, van Dam H. Theoretical exploration of ultrafast spectroscopy of small clusters International Journal of Quantum Chemistry. 84: 714-739. DOI: 10.1002/QUA.1427 |
0.416 |
|
| 2000 |
Sancho-Garcı́a JC, Pittner J, Čársky P, Hubač I. Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin–Wigner theory The Journal of Chemical Physics. 112: 8785-8788. DOI: 10.1063/1.481494 |
0.305 |
|
| 2000 |
Hubač I, Pittner J, Čársky P. Size-extensivity correction for the state-specific multireference Brillouin–Wigner coupled-cluster theory The Journal of Chemical Physics. 112: 8779-8784. DOI: 10.1063/1.481493 |
0.323 |
|
| 2000 |
Hartmann M, Pittner J, van Dam H, Veyret V, Bonacic-Koutecký V. Theoretical exploration of stationary and of ultrafast spectroscopy of small clusters Applied Physics B. 71: 343-349. DOI: 10.1007/PL00006967 |
0.418 |
|
| 2000 |
Andrianov I, Bonačić-Koutecký V, Hartmann M, Manz J, Pittner J, Sundermann K. Ab initio three-dimensional quantum dynamics of Ag 3 clusters in the NeNePo process Chemical Physics Letters. 318: 256-262. |
0.539 |
|
| 1999 |
Bonačić-Koutecký V, Pittner J, Boiron M, Fantucci P. An accurate relativistic effective core potential for excited states of Ag atom: An application for studying the absorption spectra of Agn and Agn+ clusters The Journal of Chemical Physics. 110: 3876-3886. DOI: 10.1063/1.478242 |
0.375 |
|
| 1999 |
Hartmann M, Pittner J, van Dam H, Bonačić-Koutecký V. Theoretical study of femtosecond pump–probe signals of nonstoichiometric alkali halide clusters The European Physical Journal D. 9: 393-397. DOI: 10.1007/S100530050464 |
0.368 |
|
| 1999 |
Bonačić-Koutecký V, Boiron M, Pittner J, Fantucci P, Koutecký J. Structural and optical properties of small oxygen-doped- and pure-silver clusters The European Physical Journal D. 9: 183-187. DOI: 10.1007/S100530050423 |
0.361 |
|
| 1998 |
Bonačič-Koutecký V, Reichardt D, Pittner J, Fantucci P, Koutecký J. Ab initio Molecular Dynamics for Determination of Structures of Alkali Metal Clusters and Their Temperatures Behavior; An Example of Li9+ Collection of Czechoslovak Chemical Communications. 63: 1431-1446. DOI: 10.1135/CCCC19981431 |
0.311 |
|
| 1998 |
Hartmann M, Pittner J, Bona?i?-Koutecký V, Heidenreich A, Jortner J. Theoretical exploration of femtosecond multi-state nuclear dynamics of small clusters Journal of Chemical Physics. 108: 3096-3113. DOI: 10.1063/1.475707 |
0.39 |
|
| 1997 |
Bonačić-Koutecký V, Pittner J. Ab-initio study of optical response properties of nonstoichiometric lithium-hydride and sodium-fluoride clusters Chemical Physics. 225: 173-187. DOI: 10.1016/S0301-0104(97)00276-0 |
0.585 |
|
| 1997 |
Bona ) i ' Kouteck� V, Pittner J, Koutecký J. Abinitio study of optical response properties of nonstoichiometric lithium-hydride and sodium-fluoride clusters with one and twoexcess electrons Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 40: 441-444. DOI: 10.1007/S004600050247 |
0.38 |
|
| 1996 |
Bonačić‐Koutecký V, Pittner J, Fuchs C, Fantucci P, Guest MF, Koutecký J. Ab initio predictions of structural and optical response properties of Na+n clusters: Interpretation of depletion spectra at low temperature The Journal of Chemical Physics. 104: 1427-1440. DOI: 10.1063/1.470909 |
0.357 |
|
| 1996 |
Bonačić-Koutecký V, Pittner J, Koutecký J. Ab initio study of structural and optical response properties of excess-electron lithium-hydride and sodium-fluoride clusters Chemical Physics. 210: 313-341. DOI: 10.1016/0301-0104(96)00151-6 |
0.396 |
|
| 1994 |
Bonačić‐Koutecký V, Češpiva L, Fantucci P, Pittner J, Koutecký J. Effective core potential‐configuration interaction study of electronic structure and geometry of small anionic Agn clusters: Predictions and interpretation of photodetachment spectra The Journal of Chemical Physics. 100: 490-506. DOI: 10.1063/1.466964 |
0.345 |
|
| 1994 |
Bonačić-Koutecký V, Češpiva L, Fantucci P, Fuchs C, Guest MF, Koutecký J, Pittner J. The geometric structures and optical response properties of small NanMg clusters Chemical Physics. 186: 275-287. DOI: 10.1016/0301-0104(94)00158-8 |
0.575 |
|
| 1993 |
Bonačić-Koutecký V, Fantucci P, Fuchs C, Gatti C, Pittner J, Polezzo S. Ab initio predictions of optically allowed transitions in Na20. Nature of excitations and influence of geometry Chemical Physics Letters. 213: 522-526. DOI: 10.1016/0009-2614(93)89153-9 |
0.503 |
|
| 1993 |
Bonačić-Koutecký V, Fuchs C, Gaus J, Pittner J, Koutecký J. Ground and excited states properties of Na4Fm=1-3, Li4H and Li4H2 clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 26: 192-194. DOI: 10.1007/BF01429141 |
0.595 |
|
| 1993 |
Bonačić-Koutecký V, Fantucci P, Fuchs C, Koutecký J, Pittner J. Nature of excitations in small alkali metal and other mixed clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 26: 17-22. DOI: 10.1007/BF01429098 |
0.568 |
|
| 1992 |
Bonačić-Koutecký V, Fuchs C, Pittner J, Koutecký J. Theoretical Interpretation of Optical Response Properties of Simple Metal Clusters Berichte Der Bunsengesellschaft FüR Physikalische Chemie. 96: 1262-1270. DOI: 10.1002/BBPC.19920960938 |
0.382 |
|
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