Full configuration interaction (or full CI) is a linear variational approach which provides numerically exact solutions (within the infinitely flexible...

Configuration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer...

In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure)...

cluster, many-body perturbation theory (to any order), and full configuration interaction (FCI) are size-extensive but not always size-consistent. For...

algorithms with determinant-based full CI codes, and additional, more general, unitary group configuration interaction (CI) codes. This resulted in the...

Index, in geology Force Concept Inventory, in physics education Full configuration interaction, in chemistry Functional Capacity Index, in medicine Farm Cove...

allows one to estimate the value of the full configuration interaction energy from a limited configuration interaction expansion result, although more precisely...

Quadratic configuration interaction (QCI) is an extension of configuration interaction that corrects for size-consistency errors in single and double excitation...

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

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

atoms with sharply different electronegativities, and is the primary interaction occurring in ionic compounds. It is one of the main types of bonding...

the price of added computational cost. Configuration interaction (CI) Coupled cluster (CC) Multi-configuration time-dependent Hartree (MCTDH,) Møller–Plesset...

discussed also as intermolecular forces. Ionic interactions involve the attraction of ions or molecules with full permanent charges of opposite signs. For example...

rovibrational wave-functions (in normal mode and internal coordinates) Full configuration interaction with Slater determinants (benchmark studies) convergence of...

In chemistry and physics, the exchange interaction is a quantum mechanical constraint on the states of indistinguishable particles. While sometimes called...

including: configuration interaction (CI) One of the most important methods for correcting for the missing correlation is the configuration interaction (CI)...

correctly predict the dissociation of molecules. When MOT includes configuration interaction (MO-CI), this allows the relative contributions of the covalent...

longitudinal spin-summed total position-spread (Λ∥) computed at full configuration interaction level for the H2 diatomic molecule. The Λ∥ in the high repulsive...

equatorial substituent has no 1,3 diaxial interaction that causes steric strain, it has a Gauche interaction in which an equatorial substituent repels...

deployment scheme in which installation requires no user interaction whatsoever. UDI deployments require full manual intervention to respond to every installation...

molecular orbitals, though other wave functions such as configuration interaction, multi-configurational self-consistent field, or Brueckner orbitals can also...

possible energy. This method can be considered a combination between configuration interaction (where the molecular orbitals are not varied but the expansion...

that for full orbitals and suborbitals both the residual electrostatic energy (repulsion between electrons) and the spin–orbit interaction can only shift...

or parasite adaptations may give insight on this. Infectious illness interactions may express the prolonged period of stagnation before the modification...

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

rear-hinged coach doors that eliminate the need for a central B-pillar. This configuration aims to enhance ease of access while maintaining structural integrity...

Human–robot interaction (HRI) is the study of interactions between humans and robots. Human–robot interaction is a multidisciplinary field with contributions...

determinants—such as multi-configurational self-consistent field, configuration interaction, quadratic configuration interaction, and complete active space...

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...

properties of the elements can be explained on the basis of electronic configuration. Consider the behavior of ionization energies in the periodic table...