Search Results - "Aurbakken, Einar"
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Linear and Nonlinear Optical Properties from TDOMP2 Theory
Published in Journal of chemical theory and computation (14-06-2022)“…We present a derivation of real-time (RT) time-dependent orbital-optimized Møller–Plesset (TDOMP2) theory and its biorthogonal companion, time-dependent…”
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Time‐dependent coupled‐cluster theory
Published in Wiley interdisciplinary reviews. Computational molecular science (01-09-2023)“…Recent years have witnessed an increasing interest in time‐dependent coupled‐cluster (TDCC) theory for simulating laser‐driven electronic dynamics in atoms and…”
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Correction to “Linear and Nonlinear Optical Properties from TDOMP2 Theory”
Published in Journal of chemical theory and computation (13-09-2022)Get full text
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Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems
Published in Molecular physics (03-05-2021)“…Local approximations facilitate the application of post-Hartree-Fock methods in the condensed phase, but simultaneously introduce errors leading to…”
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Pseudospectral discretization of the time-dependent Schr\"odinger equation
Published 05-04-2024“…The purpose of this document is to describe the solution and implementation of the time-independent and time-dependent Schr\"odinger using pseudospectral…”
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Adiabatic extraction of nonlinear optical properties from real-time time-dependent electronic-structure theory
Published 06-02-2023“…Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These…”
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Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions
Published 05-07-2023“…Based on the work done by an electromagnetic field on an atomic or molecular electronic system, a general gauge invariant formulation of transient absorption…”
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Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields
Published 11-08-2023“…We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation…”
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Linear and nonlinear optical properties from TDOMP2 theory
Published 21-04-2022“…In this work we present a derivation of the real-time time-dependent orbital-optimized M{\o}ller-Plesser TDOMP2 and its biorthogonal companion, time-dependent…”
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