(Q57742428)

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Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene

scientific article published in July 2003

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Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene (English)

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Todd J. Martinez

2

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Kyoung K. Baeck

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1

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publication date

July 2003

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published in

Chemical Physics Letters

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volume

375

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issue

3-4

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page(s)

299-308

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Unified Approach for Molecular Dynamics and Density-Functional Theory

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7 January 2021

Ab InitioPhotoisomerization Dynamics of a Simple Retinal Chromophore Model

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7 January 2021

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics

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Molecular excitation energies from time-dependent density functional theory

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Helfrich repulsion and dynamical phase separation of multicomponent lipid bilayers.

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7 January 2021

The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

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Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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7 January 2021

Vacuum ultraviolet resonance Raman studies of the excited electronic states of ethylene

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MCSCF study of the avoided curve crossing of the two lowest 1Σ+ states of LiF

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Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

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10.1016/S0009-2614(03)00847-9

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(Q57742428)

Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene

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