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Longer titles found: Multireference configuration interaction (view), Quadratic configuration interaction (view), Full configuration interaction (view)

searching for Configuration interaction 35 found (125 total)

alternate case: configuration interaction

Ugo Fano (1,002 words) [view diff] exact match in snippet view article find links to article

urging of Fermi, Fano developed his seminal theory of resonant configuration interaction (Fano resonance profile), which led to two papers, in 1935 and

Variational Monte Carlo (1,874 words) [view diff] exact match in snippet view article find links to article

electronic correlation) with less than 30 parameters. In comparison, a configuration interaction calculation may require around 50,000 parameters to reach that

Silicon monosulfide (277 words) [view diff] case mismatch in snippet view article find links to article

Kalyan Kumar (2002). "Electronic Spectrum of Silicon Monosulfide: Configuration Interaction Study". The Journal of Physical Chemistry A. 106 (5): 833. Bibcode:2002JPCA

Katheryn Edmonds Rajnak (461 words) [view diff] exact match in snippet view article find links to article

chemistry in 1959, magna cum laude. She defended her doctoral thesis, Configuration interaction in the rare earths and its effect on the stark levels of PrCl₃

TeraChem (846 words) [view diff] case mismatch in snippet view article find links to article

2, 1789-1793 (2011) Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory

Molecular vibration (2,724 words) [view diff] exact match in snippet view article find links to article

2nd order vibrational perturbation theory (VPT2) or vibrational configuration interaction theory (VCI). In an infrared spectrum the intensity of an absorption

Matrix isolation (1,135 words) [view diff] exact match in snippet view article find links to article

synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations". Theoretical Chemistry Accounts. 139 (12): 174.

Ali Alavi (709 words) [view diff] no match in snippet view article find links to article

"Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo". The Journal of Chemical Physics. 132 (4):

Phosphorus monoxide (1,597 words) [view diff] exact match in snippet view article find links to article

4336–4343. doi:10.1021/om000274v. de Brouckère, G. (December 2000). "Configuration interaction calculations of miscellaneous properties of the C'2Δ excited state

Fano resonance (1,110 words) [view diff] case mismatch in snippet view article find links to article

cond-mat/0211452 21 November 2002 Fano, U. (15 December 1961). "Effects of Configuration Interaction on Intensities and Phase Shifts". Physical Review. 124 (6). American

Graphical unitary group approach (373 words) [view diff] case mismatch in snippet view article find links to article

1088/0031-8949/21/3-4/013. D.C. Sherrill; H.F. Schaeffer III (1999). The Configuration Interaction Method: Advances in Highly Correlated Approaches. Advances in

List of computational chemists (1,019 words) [view diff] exact match in snippet view article find links to article

Peyerimhoff (1937–), contributed to the development of multireference configuration interaction John Pople (1925–2004), winner of 1998 Nobel Prize in Chemistry

X-ray absorption fine structure (1,522 words) [view diff] exact match in snippet view article find links to article

interaction with the core hole. Multi-electron excitations and configuration interaction between many body final states dominate the edge region in strongly

Electron configurations of the elements (data page) (1,187 words) [view diff] exact match in snippet view article

1134/S0012501606060029. S2CID 95738861. Retrieved 25 September 2020. configuration interaction is crucial in more than 30% of cases since its consideration leads

Electron configuration (6,206 words) [view diff] case mismatch in snippet view article find links to article

original on 3 November 2007. Retrieved 1 November 2007. "Chapter 11. Configuration Interaction". AMPAC™ 10 User Guide. Semichem, Inc. "Laboratory for Theoretical

Firefly luciferase (1,626 words) [view diff] exact match in snippet view article find links to article

firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction method". Journal of the American Chemical Society. 129 (28): 8756–8765

Arthur M. Lesk (1,577 words) [view diff] case mismatch in snippet view article find links to article

University European Molecular Biology Laboratory Thesis Valence Bond Configuration Interaction Studies on the Chemical Bonding of the Noble Gases (1966) Website

David Sherrill (763 words) [view diff] exact match in snippet view article find links to article

working with Professor Henry F. Schefer, III on highly correlated configuration interaction methods. He was an NSF Postdoctoral Fellow in the laboratory of

Josef Paldus (517 words) [view diff] exact match in snippet view article find links to article

1103/PhysRevA.5.50. Paldus, J. (1974). "Group theoretical approach to the configuration interaction and perturbation theory calculations of atomic and molecular systems"

Hypervalent molecule (4,517 words) [view diff] exact match in snippet view article find links to article

Goddard, John D.; Schaefer, Henry F. (February 1981). "Analytic configuration interaction gradient studies of SH 4, sulfurane". The Journal of Chemical

George F. Koster (163 words) [view diff] case mismatch in snippet view article find links to article

completed his doctoral dissertation in 1951, titled The Effects of Configuration Interaction on the Hyperfine Structure, advised by Bernard Taub Feld at the

Feshbach resonance (1,851 words) [view diff] case mismatch in snippet view article find links to article

ISSN 0029-6341. S2CID 119640917. Fano, U. (1961-12-15). "Effects of Configuration Interaction on Intensities and Phase Shifts". Physical Review. 124 (6). American

Henry F. Schaefer III (2,435 words) [view diff] case mismatch in snippet view article find links to article

Berkeley University of Texas at Austin University of Georgia Thesis Configuration Interaction Wave Functions and the Properties of Atoms and Diatomic Molecules (1969)

Shinken (software) (1,458 words) [view diff] no match in snippet view article

Web interface that provides near real time status information, configuration, interaction, a dashboard to visualize trending data from Graphite databases

Feshbach–Fano partitioning (692 words) [view diff] case mismatch in snippet view article find links to article

1016/0003-4916(62)90221-X. ISSN 0003-4916. Fano, U. (1961). "Effects of Configuration Interaction on Intensities and Phase Shifts". Physical Review. 124 (6): 1866–1878

Stephan W. Koch (1,552 words) [view diff] no match in snippet view article find links to article

quantum-confinement properties. He and his coworkers demonstrated the configuration-interaction approach and its application to the optical properties of strongly

Robert J. Harrison (788 words) [view diff] exact match in snippet view article find links to article

group-IIIA–group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations". The Journal of Chemical Physics. 125 (12): 124311

LOBPCG (4,433 words) [view diff] case mismatch in snippet view article find links to article

PMID 26940542. Shao, Meiyue; et al. (2018). "Accelerating Nuclear Configuration Interaction Calculations through a Preconditioned Block Iterative Eigensolver"

Superstripes (2,313 words) [view diff] exact match in snippet view article find links to article

pair transfer term between different condensates. The quantum configuration interaction between different pairing channels is a particular case of shape

Xenon monochloride (22,323 words) [view diff] exact match in snippet view article find links to article

relation to state C is theoretically justified by considering the configuration interaction between the ionic and covalent character states of similar symmetry

3-j symbol (5,972 words) [view diff] exact match in snippet view article find links to article

1666151. Paldus, Josef (1974). "Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular

Serena DeBeer (2,547 words) [view diff] case mismatch in snippet view article find links to article

DeBeer, Serena; Neese, Frank (2017-10-02). "A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray

List of Italian inventions and discoveries (26,253 words) [view diff] case mismatch in snippet view article find links to article

cond-mat/0211452 21 November 2002 Fano, U. (15 December 1961). "Effects of Configuration Interaction on Intensities and Phase Shifts". Physical Review. 124 (6): 1866–1878

Barbara Paldus (1,034 words) [view diff] exact match in snippet view article find links to article

Paldus, Josef (1974-12-15). "Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular

Quantum computational chemistry (3,376 words) [view diff] case mismatch in snippet view article find links to article

initialized in a state, which has a nonzero overlap with the Full Configuration Interaction (FCI) target eigenstate of the system. This state | ψ ⟩ {\displaystyle