Multireference‐state Rayleigh–Schrödinger perturbation theory applied to the electronic states X 1Σ+g and EF 1Σ+g of H2

1986 ◽  
Vol 84 (8) ◽  
pp. 4505-4518 ◽  
Author(s):  
Gabriel Hose
Keyword(s):  
Perturbation Theory ◽  
Electronic States ◽  
Schrödinger Perturbation

Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism

1981 ◽  
Vol 46 (6) ◽  
pp. 1324-1331 ◽  
Author(s):  
Petr Čársky ◽  
Ivan Hubač
Keyword(s):  
Wave Function ◽  
Perturbation Theory ◽  
Correlation Energy ◽  
Electronic States ◽  
Many Body ◽  
Third Order ◽  
Explicit Formulas ◽  
Hartree Fock ◽  
The Many ◽  
Schrödinger Perturbation

Explicit formulas over orbitals are given for the correlation energy in triplet electronic states of atoms and molecules. The formulas were obtained by means of the diagrammatic many-body Rayleigh-Schrodinger perturbation theory through third order assuming a single determinant restricted Roothaan-Hartree-Fock wave function. A numerical example is presented for the NH molecule.

scholarly journals Analytical Theory of Attosecond Transient Absorption Spectroscopy of Perturbatively Dressed Systems

2019 ◽  
Vol 9 (7) ◽  
pp. 1350
Author(s):  
Daria Kolbasova ◽  
Robin Santra
Keyword(s):  
Perturbation Theory ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Electronic States ◽  
Theoretical Description ◽  
Transient Absorption Spectroscopy ◽  
Electron Dynamics ◽  
Optical Pulses ◽  
Absorption Signal ◽  
Level Model

A theoretical description of attosecond transient absorption spectroscopy for temporally and spatially overlapping XUV and optical pulses is developed, explaining the signals one can obtain in such an experiment. To this end, we employ a two-stage approach based on perturbation theory, which allows us to give an analytical expression for the transient absorption signal. We focus on the situation in which the attosecond XUV pulse is used to create a coherent superposition of electronic states. As we explain, the resulting dynamics can be detected in the spectrum of the transmitted XUV pulse by manipulating the electronic wave packet using a carrier-envelope-phase-stabilized optical dressing pulse. In addition to coherent electron dynamics triggered by the attosecond pulse, the transmitted XUV spectrum encodes information on electronic states made accessible by the optical dressing pulse. We illustrate these concepts through calculations performed for a few-level model.

Applicability of the schrödinger perturbation theory to bound states

1964 ◽  
Vol 10 (1) ◽  
pp. 73 ◽  
Author(s):  
K. Hausmann ◽  
W. Macke ◽  
P. Ziesche
Keyword(s):  
Perturbation Theory ◽  
Bound States ◽  
Schrödinger Perturbation

scholarly journals Quantum square-well with logarithmic central spike

2018 ◽  
Vol 33 (02) ◽  
pp. 1850009 ◽  
Author(s):  
Miloslav Znojil ◽  
Iveta Semorádová
Keyword(s):  
Perturbation Theory ◽  
Boundary Conditions ◽  
Closed Form ◽  
Wave Functions ◽  
Change Of Variables ◽  
State Dependent ◽  
Square Well ◽  
Strength Formula ◽  
Schrödinger Perturbation ◽  
Dependent Interaction

Singular repulsive barrier [Formula: see text] inside a square-well is interpreted and studied as a linear analog of the state-dependent interaction [Formula: see text] in nonlinear Schrödinger equation. In the linearized case, Rayleigh–Schrödinger perturbation theory is shown to provide a closed-form spectrum at sufficiently small [Formula: see text] or after an amendment of the unperturbed Hamiltonian. At any spike strength [Formula: see text], the model remains solvable numerically, by the matching of wave functions. Analytically, the singularity is shown regularized via the change of variables [Formula: see text] which interchanges the roles of the asymptotic and central boundary conditions.

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