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Longer titles found: State-universal coupled cluster (view)

searching for Coupled cluster 36 found (131 total)

Cluster diagram (596 words) [view diff] exact match in snippet view article find links to article

called coupled cluster diagram is a "simple diagrammatic formalism popularized by Kucharski and Bartlett [in 1986] by which one may construct the coupled cluster

Péter Surján (680 words) [view diff] no match in snippet view article find links to article

in coupled-cluster theory", The Journal of Chemical Physics 115, 2945 (2001); doi:10.1063/1.1383290 "A general state-selective multireference coupled-cluster

Metallophilic interaction (732 words) [view diff] no match in snippet view article find links to article

validated by both DFT (density functional theory) and high-level CCSD(T) (coupled-cluster singles and doubles with perturbative triples) computations. An important

Anna Krylov (2,409 words) [view diff] no match in snippet view article find links to article

such as coupled-cluster and equation-of-motion (or linear response) approaches. She developed the spin-flip approach, which extends coupled-cluster and density

Plumbane (723 words) [view diff] no match in snippet view article find links to article

effects for molecules of heavy elements: Ab initio fully relativistic coupled-cluster calculations for PbH4". International Journal of Quantum Chemistry

Gustavo Scuseria (410 words) [view diff] exact match in snippet view article find links to article

Professor Scuseria has made contributions to density functional theory, coupled cluster theory and the theory of carbon nanomaterials. Recent research thrusts

K. L. Sebastian (533 words) [view diff] exact match in snippet view article find links to article

chain molecule. He also developed the time dependent version of the coupled cluster theory (CCT) and applied to a problem of ion neutralization scattered

Peter Schwerdtfeger (785 words) [view diff] exact match in snippet view article find links to article

Borschevsky, A.; Kaldor, U.; Schwerdtfeger, P. (2017). "Relativistic coupled cluster calculations with variational quantum electrodynamics resolve the discrepancy

Spin stiffness (926 words) [view diff] no match in snippet view article find links to article

antiferromagnet on square, triangular, and cubic lattices using the coupled-cluster method". Physical Review B. 73 (9): 094404. arXiv:cond-mat/0601691

Francium (4,131 words) [view diff] exact match in snippet view article find links to article

Yuliya; Meniailava, Darya; Shundalau, Maksim (2024). "Relativistic coupled cluster study on the spectroscopic and radiative properties of the KFr molecule

ReaxFF (802 words) [view diff] case mismatch in snippet view article find links to article

Schwartzentruber, T. E. (2013). "Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF

Magnesium argide (1,786 words) [view diff] exact match in snippet view article find links to article

excited state potential energy curves of the MgAr complex using the coupled cluster approximate triples model CC3". Chemical Physics Letters. 364 (3–4):

Variational quantum eigensolver (2,391 words) [view diff] exact match in snippet view article find links to article

A common method to obtain a valid ansatz is given by the unitary coupled cluster (UCC) framework and its extensions. If the ansatz is not chosen adequately

Mihir Chowdhury (1,485 words) [view diff] no match in snippet view article find links to article

(PDF). NISCAIR. 2016. Rodney J. Bartlett (1997). Recent Advances in Coupled-cluster Methods. World Scientific. pp. 177–. ISBN 978-981-02-3112-5. "Chemical

Naihati (2,948 words) [view diff] exact match in snippet view article find links to article

Debashis Mukherjee, quantum chemist and the developer of multireference coupled cluster theory Haraprasad Shastri, historian and linguist Keshab Chandra Sen

Sulfoxylic acid (2,164 words) [view diff] no match in snippet view article find links to article

PMID 23534485. Napolion, Brian; Huang, Ming-Ju; Watts, John D. (May 2008). "Coupled-Cluster Study of Isomers of H2SO2". The Journal of Physical Chemistry A. 112

Methanium (1,067 words) [view diff] no match in snippet view article find links to article

Klopper, Wim (1997). "CH5+: The story goes on. An explicitly correlated coupled-cluster study". Journal of Chemical Physics. 106 (5): 1863. Bibcode:1997JChPh

P. T. Narasimhan (1,674 words) [view diff] no match in snippet view article find links to article

doi:10.1002/qua.560120110. Shankar S., Narasimhan P. T. (1984). "Linear coupled-cluster method. II. Analysis of local exchange-correlation potentials in beryllium

Vibronic coupling (2,761 words) [view diff] no match in snippet view article find links to article

Olivucci, Massimo (2014). "Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical

Space Shuttle thermal protection system (4,074 words) [view diff] case mismatch in snippet view article find links to article

Schwartzentruber (2013). "Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF

Roentgenium (6,584 words) [view diff] exact match in snippet view article find links to article

stability of high oxidation states in group 11 elements: Relativistic coupled cluster calculations for the di-, tetra- and hexafluoro metallates of Cu, Ag

Group 3 element (5,863 words) [view diff] no match in snippet view article find links to article

energies of ytterbium, lutetium, and lawrencium by the relativistic coupled-cluster method". Phys. Rev. A. 52 (1): 291–296. Bibcode:1995PhRvA..52..291E

Oganesson (10,477 words) [view diff] exact match in snippet view article find links to article

Ionization potentials and electron affinity of oganesson with relativistic coupled cluster method". In Musiał, Monika; Hoggan, Philip E. (eds.). Advances in Quantum

Lawrencium (8,099 words) [view diff] no match in snippet view article find links to article

energies of ytterbium, lutetium, and lawrencium by the relativistic coupled-cluster method". Phys. Rev. A. 52 (1): 291–296. Bibcode:1995PhRvA..52..291E

Ununennium (8,368 words) [view diff] no match in snippet view article find links to article

Pernpointner, Markus; Seth, Michael; et al. (1999). "Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element

Electron affinity (data page) (4,069 words) [view diff] exact match in snippet view article

Ionization potentials and electron affinity of oganesson with relativistic coupled cluster method". In Musiał, Monika; Hoggan, Philip E. (eds.). Advances in Quantum

The Local Train (2,195 words) [view diff] no match in snippet view article find links to article

#tlt #tltprevails"". Instagram. Retrieved 2 May 2022. "Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures". doi:10

Light-front quantization applications (9,006 words) [view diff] no match in snippet view article find links to article

nonperturbative solution. The light-front coupled-cluster approach (see Light-front computational methods#Light-front coupled-cluster method), avoids making a Fock-space

Proteomics (9,070 words) [view diff] exact match in snippet view article find links to article

correspondence between transcriptomic and proteomic expression profiles using coupled cluster models". Bioinformatics. 24 (24): 2894–2900. doi:10.1093/bioinformatics/btn553

Unbinilium (8,685 words) [view diff] no match in snippet view article find links to article

Skripnikov, L.V.; Mosyagin, N.S.; Titov, A.V. (January 2013). "Relativistic coupled-cluster calculations of spectroscopic and chemical properties for element 120"

Ramamurti Rajaraman (3,799 words) [view diff] case mismatch in snippet view article find links to article

1967 review article by Rajaraman with Bethe, eventually led to the Coupled Cluster method in Many Body theory. Subsequently, B.H.J. McKellar, Rajaraman

Two-photon circular dichroism (2,638 words) [view diff] exact match in snippet view article find links to article

"Origin-independent two-photon circular dichroism calculations at the coupled cluster level". Phys. Chem. Chem. Phys. 18 (19): 13683–13692. Bibcode:2016PCCP

Aquilanti–Mundim deformed Arrhenius model (4,903 words) [view diff] no match in snippet view article find links to article

Vieira, F. M. C.; Mundim, K. C. (2009-12-31). "Calculation of MP2and Coupled-Cluster Molecular Properties Using the q-Integral Method†". The Journal of

Intrinsic bond orbitals (2,927 words) [view diff] exact match in snippet view article find links to article

Felix; Grüneis, Andreas (28 December 2021). "Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of

Light front quantization (12,723 words) [view diff] no match in snippet view article find links to article

to field-theoretic eigenvalue problems, including the light-front coupled-cluster method finite elements, function expansions, and the complete orthonormal

Quantum computational chemistry (3,351 words) [view diff] exact match in snippet view article find links to article

"Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz". Quantum Science and Technology. 4 (1): 014008. arXiv:1701