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Longer titles found: Skew-Hamiltonian matrix (view)

searching for Hamiltonian matrix 24 found (35 total)

Extended Hückel method (935 words) [view diff] exact match in snippet view article find links to article

sum of terms for each electron in the molecule. The off-diagonal Hamiltonian matrix elements are given by an approximation due to Wolfsberg and Helmholz

Luttinger–Kohn model (2,474 words) [view diff] no match in snippet view article find links to article

The Luttinger–Kohn model is a flavor of the k·p perturbation theory used for calculating the structure of multiple, degenerate electronic bands in bulk

Josef Paldus (494 words) [view diff] exact match in snippet view article find links to article

Unitary Group Approach. This approach regards the computation of Hamiltonian matrix elements over N-electron spin eigenstates that appear in electronic

Density matrix renormalization group (3,481 words) [view diff] exact match in snippet view article find links to article

operators, which are always 3 × 3 {\displaystyle 3\times 3} matrices. The Hamiltonian matrix of the superblock (the chain), which at the first iteration has only

Linearized augmented-plane-wave method (5,829 words) [view diff] exact match in snippet view article find links to article

the Hamiltonian matrix in the MT spheres and in the IR contributions related to deviations from the constant potential. After the Hamiltonian matrix H G

Hückel method (7,291 words) [view diff] exact match in snippet view article find links to article

eigenvalues of the Hamiltonian matrix. Second, in the simplest case of a planar, unsaturated hydrocarbon, the Hamiltonian matrix H = [ H i j ] {\displaystyle

Pyramidal inversion (918 words) [view diff] exact match in snippet view article find links to article

Feynman, Richard P.; Robert Leighton; Matthew Sands (1965). "The Hamiltonian matrix". The Feynman Lectures on Physics. Vol. III. Massachusetts, USA: Addison-Wesley

Landau–Zener formula (2,844 words) [view diff] exact match in snippet view article find links to article

diabatic states varies linearly with time The coupling in the diabatic Hamiltonian matrix is independent of time The first simplification makes this a semi-classical

Nuclear magnetic resonance quantum computer (1,488 words) [view diff] exact match in snippet view article find links to article

{e^{-\beta H}}{\operatorname {Tr} (e^{-\beta H})}},} where H is the hamiltonian matrix of an individual molecule and β = 1 k T {\displaystyle \beta ={\frac

Two-state quantum system (6,600 words) [view diff] exact match in snippet view article find links to article

eigenstate energies still inside the product vector. In either case, the Hamiltonian matrix can be derived using the method specified above, or via the more traditional

Möbius aromaticity (1,902 words) [view diff] exact match in snippet view article find links to article

}} . For the generic N {\displaystyle N} carbon Möbius system, the Hamiltonian matrix H {\displaystyle \mathbf {H} } is: H = ( α β ′ 0 ⋯ − β ′ β ′ α β ′

The Feynman Lectures on Physics (2,195 words) [view diff] exact match in snippet view article find links to article

particles Spin one Spin one-half The dependence of amplitudes on time The Hamiltonian matrix The ammonia maser Other two-state systems More two-state systems The

Matrix element (physics) (947 words) [view diff] exact match in snippet view article

subscript on the Hamiltonian operator indicates the basis which the Hamiltonian matrix is represented. In this case, it is represented by the { | ψ n 0 ⟩

Spin-forbidden reactions (1,328 words) [view diff] exact match in snippet view article find links to article

}{2E}}}\right)} in which the spin-orbit coupling derived off the diagonal Hamiltonian matrix element between two electronic states (H12), the relative slope of

Rayleigh theorem for eigenvalues (3,103 words) [view diff] exact match in snippet view article find links to article

expansion, the same as that of coefficients, is the dimension of the Hamiltonian matrix that will be generated. The statement of the theorem follows. Let

Quantum chaos (4,340 words) [view diff] exact match in snippet view article find links to article

conditions. Another approach is numerical matrix diagonalization. If the Hamiltonian matrix is computed in any complete basis, eigenvalues and eigenvectors are

Avoided crossing (2,614 words) [view diff] exact match in snippet view article find links to article

the Hamiltonian H {\displaystyle H} , we may write the effective Hamiltonian matrix in that subspace as ( E 1 0 0 E 2 ) + ( W 1 W W W 2 ) = ( E 1 + W

Configuration state function (1,690 words) [view diff] exact match in snippet view article find links to article

found by using the expansion of Ψ {\displaystyle \Psi } to compute a Hamiltonian matrix. When this is diagonalized, the eigenvectors are chosen as the expansion

Spin–orbit interaction (4,315 words) [view diff] exact match in snippet view article find links to article

|\Gamma _{n}\rangle } can be found from direct diagonalization of Hamiltonian matrix containing crystal field and spin–orbit interactions. Taking into

William Lipscomb (5,965 words) [view diff] case mismatch in snippet view article find links to article

Orbital Theory for Large Molecules. Approximation of the SCF LCAO Hamiltonian Matrix". J. Am. Chem. Soc. 88 (2353–2360): 245. doi:10.1021/ja00963a001.

Basis set (chemistry) (4,967 words) [view diff] exact match in snippet view article

complex mathematical expressions, e.g., for the calculation of a Hamiltonian matrix or atomic forces. Real-space approaches offer powerful methods to

Diabatic representation (4,002 words) [view diff] exact match in snippet view article find links to article

molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix". Chemical Physics. 440. Elsevier BV: 106–118. Bibcode:2014CP....440

Neutral particle oscillation (6,741 words) [view diff] exact match in snippet view article find links to article

} (3) Since H {\displaystyle \ H\ } is a general Hamiltonian matrix, it can be written as H = ∑ j = 0 3 a j σ j = a 0 σ 0 + H ′ {\displaystyle

Light-front computational methods (11,024 words) [view diff] exact match in snippet view article find links to article

energy bandwidth. The name comes from the band-diagonal form of the Hamiltonian matrix in the new basis ordered in energy using H 0 {\displaystyle H_{0}}