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Full configuration interaction (or full CI) is a linear variational approach which provides numerically exact solutions (within the infinitely flexible
Full configuration interaction
Full_configuration_interaction
Concept in computational chemistry
Configuration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer
Configuration_interaction
allows one to estimate the value of the full configuration interaction energy from a limited configuration interaction expansion result, although more precisely
Davidson_correction
cluster, many-body perturbation theory (to any order), and full configuration interaction (FCI) are size-extensive but not always size-consistent. For
Size consistency and size extensivity
Size_consistency_and_size_extensivity
Mode of arrangement of electrons in different shells of an atom
In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure)
Electron_configuration
Topics referred to by the same term
Index, in geology Force Concept Inventory, in physics education Full configuration interaction, in chemistry Functional Capacity Index, in medicine Farm Cove
FCI
Quadratic configuration interaction (QCI) is an extension of configuration interaction that corrects for size-consistency errors in single and double excitation
Quadratic configuration interaction
Quadratic_configuration_interaction
Physical quantity
longitudinal spin-summed total position-spread (Λ∥) computed at full configuration interaction level for the H2 diatomic molecule. The Λ∥ in the high repulsive
Total_position_spread
British theoretical chemist
"Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo". The Journal of Chemical Physics. 132 (4):
Ali_Alavi
Chemical bonding involving attraction between ions
atoms with sharply different electronegativities, and is the primary interaction occurring in ionic compounds. It is one of the main types of bonding
Ionic_bonding
Ab initio quantum chemistry software package
algorithms with determinant-based full CI codes, and additional, more general, unitary group configuration interaction (CI) codes. This resulted in the
MOLPRO
British chemist (1941-2012)
rovibrational wave-functions (in normal mode and internal coordinates) Full configuration interaction with Slater determinants (benchmark studies) convergence of
Nicholas_C._Handy
Computer simulation of chemical systems
initialized in a state, which has a nonzero overlap with the Full Configuration Interaction (FCI) target eigenstate of the system. This state | ψ ⟩ {\displaystyle
Quantum computational chemistry
Quantum_computational_chemistry
Revised theory in chemical bonding
correctly predict the dissociation of molecules. When MOT includes configuration interaction (MO-CI), this allows the relative contributions of the covalent
Modern_valence_bond_theory
Quantum mechanical effect
In chemistry and physics, the exchange interaction is a quantum mechanical constraint on the states of indistinguishable particles. While sometimes called
Exchange_interaction
Set of methods in computational chemistry
cost. Configuration interaction (CI) Coupled cluster (CC) Møller–Plesset perturbation theory (MP2, MP3, MP4, etc.) Quadratic configuration interaction (QCI)
Post–Hartree–Fock
American computer scientist
group-IIIA–group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations". The Journal of Chemical Physics. 125 (12): 124311
Robert_J._Harrison
Chemical bond which does not involve the sharing of electrons
discussed also as intermolecular forces. Ionic interactions involve the attraction of ions or molecules with full permanent charges of opposite signs. For example
Non-covalent_interaction
Method in quantum chemistry
possible energy. This method can be considered a combination between configuration interaction (where the molecular orbitals are not varied but the expansion
Multi-configurational self-consistent field
Multi-configurational_self-consistent_field
Interaction between electrons, often complicating physical calculations
including: configuration interaction (CI) One of the most important methods for correcting for the missing correlation is the configuration interaction (CI)
Electronic_correlation
Rules to determine the ground state of an atom
that for full orbitals and suborbitals both the residual electrostatic energy (repulsion between electrons) and the spin–orbit interaction can only shift
Hund's_rules
Elementary particles with a spin of 1/2
one full rotation; a spin of 1/2 means that the particle must be rotated by two full turns (through 720°) before it has the same configuration as when
Spin_1/2
Deployment tool for Windows operating systems
deployment scheme in which installation requires no user interaction whatsoever. UDI deployments require full manual intervention to respond to every installation
Microsoft_Deployment_Toolkit
Method for approximating many-body systems
molecular orbitals, though other wave functions such as configuration interaction, multi-configurational self-consistent field, or Brueckner orbitals can also
Coupled_cluster
Sladek of Charles University in Prague show that Neanderthal lower limb configuration, particularly the combination of robust knees, long heels, and short
Neanderthal_extinction
Allotropes of carbon with a cylindrical nanostructure
goes around the tube. One says that the tube is of the zigzag type or configuration, or simply is a zigzag nanotube. If the tube is instead encircled by
Carbon_nanotube
Upcoming electric SUV
vehicle configurations. Production will take place at Hyundai's sixth facility in Ulsan, South Korea, with manufacturing beginning in 2026. As a full-size
Genesis_GV90
Study of reaction between humans and robots
Human–robot interaction (HRI) is the study of interactions between humans and robots. Human–robot interaction is a multidisciplinary field with contributions
Human–robot_interaction
Ab initio quantum chemistry program
properties using the Hartree–Fock, MP2, density functional theory, configuration interaction and coupled cluster electronic structure theories. Dirac is one
Dirac_(software)
Method for describing the electronic structure of molecules using quantum mechanics
plane, as if they resided in a metal. Chemistry portal Cis effect Configuration interaction Coupled cluster Frontier molecular orbital theory Ligand field
Molecular_orbital_theory
Structures of cyclohexane
equatorial substituent has no 1,3 diaxial interaction that causes steric strain, it has a Gauche interaction in which an equatorial substituent repels
Cyclohexane_conformation
Antiplatelet medication
antiplatelet drug. This has the following configuration: Z configuration at the C3—C16 double bond, the original S configuration at C7, and, although the stereocentre
Clopidogrel
Type of classification of molecular orbitals
partitioned into three classes—core, active, and virtual—and a configuration interaction expansion is carried out over all possible distributions of a
Complete_active_space
systems where it allows to carry out with relative ease the ensemble configuration averages. The KKR method does have a few "bills" to pay, e.g., (1) the
Korringa–Kohn–Rostoker_method
Approximation in many-body systems
terms of the single particle Green's function G and the screened Coulomb interaction W Σ = i G W − G W G W G + ⋯ {\displaystyle \Sigma =iGW-GWGWG+\cdots }
GW_approximation
Smallest amount of fissile material needed to sustain a nuclear reaction
broadening of the 238U resonances but is common to all fuels/absorbers/configurations. Neglecting the very important resonances, the total neutron cross-section
Critical_mass
Approximation method in quantum physics
determinants—such as multi-configurational self-consistent field, configuration interaction, quadratic configuration interaction, and complete active space
Hartree–Fock_method
Probabilistic algorithms to simulate quantum many-body systems
Hartree–Fock (HF) approximation, or converging very slowly, as in configuration interaction applications in quantum chemistry. Quantum Monte Carlo is a way
Quantum_Monte_Carlo
Reason behind some elements' anomalous behaviour
Electronegativity Electron affinity Effective nuclear charge Electron configuration Exchange interaction Lanthanide contraction Actinide contraction "Lanthanide Contraction-
D-block_contraction
Combination technology for wastewater treatment
membrane bioreactor configurations are the submerged membrane bioreactor and the side stream membrane bioreactor. In the submerged configuration, the membrane
Membrane_bioreactor
Model of electronic band structures of solids
bound to the atom to which they belong and they should have limited interaction with states and potentials on surrounding atoms of the solid. As a result
Tight_binding
Chemical bond by sharing of electron pairs
each atom to attain the equivalent of a full valence shell, corresponding to a stable electronic configuration. In organic chemistry, covalent bonding
Covalent_bond
Data-interchange format
configuration language: "I know that the lack of comments makes some people sad, but it shouldn't. Suppose you are using JSON to keep configuration files
JSON
Computer intended for use by an individual person
April 2018. The Encyclopedia of Human-Computer Interaction, second Ed. End-User Development. Interaction Design Foundation. 2017. Archived from the original
Personal_computer
Measurement in atomic physics
properties of the elements can be explained on the basis of electronic configuration. Consider the behavior of ionization energies in the periodic table
Effective_nuclear_charge
World Wide Web content existing on darknets
(overlay networks) that use the Internet, but require specific software, configurations, or authorization to access. Through the dark web, private computer
Dark_web
Model in statistical mechanics generalizing the Ising model
consist of two parts: the self-energy of a configuration [s0, s1, ..., sn] of spins, plus the interaction energy of this set and all the other spins in
Potts_model
End-to-end testing framework
and video capture settings Headless mode configuration Test parallelization options An example configuration might look like: module.exports = { testDir:
Playwright_(software)
Faraday cup instrument for Europa Clipper
Europa's atmosphere. This interaction results in magnetic field perturbations. While understanding this plasma interaction is inherently interesting,
Plasma Instrument for Magnetic Sounding
Plasma_Instrument_for_Magnetic_Sounding
2026 Android mobile operating system
bubbles. Home Screen Label Hiding: The native Pixel Launcher introduces a configuration toggle within the settings menu to completely hide app text labels on
Android_17
Physically interactive user interface
Spatial interaction: tangible interaction is embedded in real space; interaction occurs as movement in this space. An example is full body interaction: can
Tangible_user_interface
Noncovalent molecular interaction
Cation–π interaction is a noncovalent molecular interaction between the face of an electron-rich π system (e.g. benzene, ethylene, acetylene) and an adjacent
Cation–π_interaction
Computer network management and monitoring protocol
management information base (MIB), which describes the system status and configuration. These variables can then be remotely queried (and, in some circumstances
Simple Network Management Protocol
Simple_Network_Management_Protocol
Subordinate user interface element
application's main window. A modal window creates a mode that disables user interaction with the main window but keeps it visible, with the modal window as a
Modal_window
Particle, atom or molecule with a net electrical charge
closed-shell electronic configuration. As such, they have the tendency to lose these extra electrons in order to attain a stable configuration. This property is
Ion
judging pipeline; increased support for interaction with ICPCTools; improved support for contest configuration using YAML files; support for JSON event
PC²
Two-dimensional cellular automaton
further input. One interacts with the Game of Life by creating an initial configuration and observing how it evolves in discrete time steps called generations
Conway's_Game_of_Life
Theory of perception
Gestalt psychology, gestaltism, or configurationism is a school of psychology, and a theory of perception, that emphasizes psychologically processing entire
Gestalt_psychology
Time and place where a retail transaction is completed
It featured a color touchscreen widget-driven interface that allowed configuration of widgets representing menu items without low level programming. The
Point_of_sale
Tabular arrangement of the chemical elements
filling the first shell and giving the configuration 1s2. Starting from the third element, lithium, the first shell is full, so its third electron occupies a
Periodic_table
storage configuration. Tests can be bench scale (e.g., flammable liquid flash point), medium scale (e.g., storage commodity classification), or full scale
Fire_test
Model of the atomic nucleus
shell configurations are mixed, and the energy degeneracy of states corresponding to the same configuration is broken. These residual interactions are incorporated
Nuclear_shell_model
Helicopter with two sets of rotor blades placed on top of each other
advantage of the configuration; some of the loud "spanking" sound associated with conventional helicopters arises from interaction between the airflows
Coaxial-rotor_aircraft
Physical model of solid metals as electron gases
model which includes a weak periodic perturbation meant to model the interaction between the conduction electrons and the ions in a crystalline solid
Nearly_free_electron_model
Statement on equilibrium in electromagnetism
be maintained in a stable stationary equilibrium configuration solely by the electrostatic interaction of the charges. This was first proven by British
Earnshaw's_theorem
Physical process transitioning a system from a symmetric state to a more ordered state
mass generation of those gauge fields. A full explanation is highly technical: see electroweak interaction. In spontaneous symmetry breaking (SSB), the
Symmetry_breaking
Quantum chemistry method extending valence bond theory
molecule. The orbitals for each electron pair are expanded in terms of the full basis set and are non-orthogonal. Orbitals from different pairs are forced
Generalized_valence_bond
Pictorial representation of the behavior of subatomic particles
representation of the mathematical expressions describing the behavior and interaction of subatomic particles. The scheme is named after American physicist
Feynman_diagram
Pairs of molecules with same chemical formula showing different spatial orientations
isomerism". Cis–trans or geometric isomerism is classified as one type of configurational isomerism. Very often, cis–trans stereoisomers contain double bonds
Cis–trans_isomerism
Office dealing with a large volume of enquiries by telephone
their customer interactions. These centres can be operated by either an in-house department responsible or outsourcing customer interaction to a third-party
Call_centre
Cross-disciplinary design field
need to move away from GUIs and instead find other means of interaction which use the full capabilities of all our senses. Hardware interface design solves
Hardware_interface_design
Type of rotorcraft
common helicopter configuration. However, twin-rotor helicopters (bicopters), in either tandem or transverse rotors configurations, are sometimes in use
Helicopter
Particular reconfigured arrangements of the ten sefirot
attributes or emanations. Each partzuf is thus a configuration of disparate entities into a harmonious unit. Their full doctrinal significance emerged in Lurianic
Partzufim
Creation and maintenance of websites
advanced interactivity may be incompatible with older browsers or hardware configurations. Publishing a function that doesn't work reliably is potentially worse
Web_design
Theorem of physical impossibility
be maintained in a stable stationary equilibrium configuration solely by the electrostatic interaction of the charges. Bell's theorem Kochen–Specker theorem
No-go_theorem
Technical diving safety philosophy
equipment configurations. DIR proponents maintain that through these elements, safety is improved by standardizing equipment configuration and dive-team
Doing_It_Right_(scuba_diving)
Combining multiple simulation methods
subsequent calculations. The highest level of theory is a quadratic configuration interaction calculation with single and double excitations and a triples excitation
Quantum chemistry composite methods
Quantum_chemistry_composite_methods
Distinct setting within a computer interface
strong signals to notify the user of the state change in the place where interaction occurs. If the user's locus of attention changes to a different area
Mode_(user_interface)
Battery electric full-size crossover SUV
electric full-sized luxury SUV produced by Human Horizons under the HiPhi brand. It is available in either four or six-seater configurations. The HiPhi
HiPhi_X
Family of block-oriented display terminals and printers made by IBM
3274, 3174, using 93 ohm RG-62 coaxial cables in a point-to-point configuration with one dedicated cable per terminal. Data is sent with a bit rate
IBM_3270
Computational modeling of molecular interaction
do bind, What is the spatial configuration which they adopt in their bound state? How strong or weak is their interaction? If they do not bind, Can they
Macromolecular_docking
Interpretation of quantum mechanics
The wavefunction itself is evolving at all times over the full multi-particle configuration space. Hrvoje Nikolić introduces a purely deterministic de
De_Broglie–Bohm_theory
Checking software against expectations
automation supports testing the system under test (SUT) without manual interaction which can lead to faster test execution and testing more often. Test
Software_testing
2025 foldable smartphone by Samsung Electronics
is partially folded, typically between 75 and 115 degrees. In this configuration, supported applications display content on the upper half of the screen
Samsung_Galaxy_Z_Fold_7
Soil based seismic demand system
soil-structure interaction, isolation effects arising from sliding or rolling interfaces, embedded inclusions, and hybrid configurations. Together, these
Geotechnical seismic isolation
Geotechnical_seismic_isolation
2025 film by Gareth Edwards
changes, some depicting the creature with multiple heads and varying limb configurations, as ILM sought to maintain a balance between science fiction and believability
Jurassic_World_Rebirth
Concept in artificial intelligence
may include various components such as: Recursive self-prompting loop Configuration to enable the LLM to recursively self-prompt itself to achieve a given
Recursive_self-improvement
that some users consider them an important element of their routine interactions with a computer. Whether used as a matter of personal preference or for
Table_of_keyboard_shortcuts
British 8-bit computer
monitor. The machine was sold in multiple configurations, each denoted with an "L" prefix. The cheapest configuration, described in the original magazine articles
Transam_Triton
"Configuration of Orthanc". Orthanc Book. 2017 [2015]. Archived from the original on 2017-02-12. Retrieved 2017-02-12. ... The default configuration file
List of TCP and UDP port numbers
List_of_TCP_and_UDP_port_numbers
German theoretical chemist (born 1967)
pair natural orbital correlation theories, spectroscopy oriented configuration interaction, electronic and geometric structure and reactivity of transition
Frank_Neese
Use of a linked object on one web page to a second site
to directly link to your images from their pages. Luckily, a simple configuration change provides the necessary fix. Mike Masnick (6 January 2010). "Is
Inline_linking
AGATA gamma-ray detector
array to a 3π configuration by 2030. Over the years, AGATA has been steadily growing, and currently is operated in a 1π configuration at Legnaro National
AGATA_(gamma-ray_detector)
Sexual entertainment venue
jukebox or sometimes live musicians. Strip clubs have a variety of configurations and staffing needs. Some clubs employ a host to emcee the show, in addition
Strip_club
3D computer graphics software
themselves can also be used as libraries of Blender assets. Interface configurations are retained in ".blend" files. A wide variety of import/export scripts
Blender_(software)
Fictional character on The Big Bang Theory
Theory. Season 2. Episode 21. April 27, 2009. CBS. "The Habitation Configuration". The Big Bang Theory. Season 6. Episode 7. November 8, 2012. 15:06
Penny_(The_Big_Bang_Theory)
Computer security mechanism
be classified as: pure honeypots high-interaction honeypots low-interaction honeypots Pure honeypots are full-fledged production systems. The activities
Honeypot_(computing)
High-resolution technique in gesture recognition and image processing
computer input device. The finger tracking system is focused on user-data interaction, where the user interacts with virtual data, by handling through the
Finger_tracking
Type of electron microscope
delivered to DuPont. The signals used by an SEM to make an image result from interactions between the electron beam and atoms at various depths within the sample
Scanning_electron_microscope
Electricity generation by nuclear fusion
hydrogen is the easiest fuel to fully ionize. The repulsive electrostatic interaction between nuclei operates across larger distances than the strong force
Fusion_power
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