Results 241 to 250 of about 109,716 (280)

Elastically induced phase-shift and birefringence in optical fibers. [PDF]

Open Res Eur
Steininger E, Mieling T, Chruściel PT.
europepmc   +1 more source

Accurate and Affordable Vibrational Spectra of Large Molecules: Primary, Auxiliary, and Spectator Modes in a Perturb-then-Diagonalize Framework. [PDF]

J Chem Theory Comput
Barone V, Lazzari F, Mendolicchio M.
europepmc   +1 more source

Strain engineering of topological transitions in 2D materials: a multi-band approach. [PDF]

Sci Rep
Azizi F.
europepmc   +1 more source

Electrical oscillations in microtubules. [PDF]

Sci Rep
Mohsin M, Cantiello HF, Cantero MDR, Marucho M.   +3 more
europepmc   +1 more source

Accuracy and Limitations of the Pair-Selected Multilevel Approach for DLPNO Coupled Cluster: Extensive Benchmark for Closed-Shell Organic Reactions. [PDF]

Chemphyschem
Gurav N, Ramez N, Lampe L, Neugebauer J.
europepmc   +1 more source

On the Role of Electronic Correlation and State-Specific Environment Polarization in Singlet-Triplet Gap Inversion. [PDF]

J Comput Chem
Salvi E, Agostini G, Veglianti S, Juliani Costa G, De Vico L, Padula D, Guido CA.   +6 more
europepmc   +1 more source

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Higher-order perturbative relativistic calculations for few-electron atoms and ions

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2017
Abstract An effective computational method is developed for electronic-structure calculations in few-electron atoms and ions on the basis of the Dirac-Coulomb-Breit Hamiltonian. The recursive formulation of the perturbation theory provides an efficient access to the higher-order contributions of the interelectronic interaction.
D.A. Glazov, A.V. Malyshev, A.V. Volotka, V.M. Shabaev, I.I. Tupitsyn, G. Plunien   +5 more
openaire   +3 more sources

Higher order perturbation calculation with higher mode eigenfunctions in homogeneous system

Annals of Nuclear Energy, 2000
Abstract By introducing two perturbed systems from a homogeneous core the higher order perturbation calculation of a heterogeneous core was performed to obtain the neutron flux and reactivity change with the higher mode eigenfunctions in the homogeneous core system which is considered to be an unperturbed system. The main feature of this perturbation
Cheol Ho Pyeon, Yoshihiro Yamane, Tsuyoshi Misawa, Seiji Shiroya   +3 more
openaire   +1 more source

Full finite perturbation calculations of NMR screening constants and higher order effects

Journal of Molecular Structure: THEOCHEM, 1988
Abstract A finite-perturbation calculation method of the possibly field-dependent nuclear magnetic shielding in NMR experiments at very high field is presented. Numerical results obtained on the H− ion are given.
A. Boucekkine, G. Boucekkine-Yaker, M.Nait Achour, G. Berthier   +3 more
openaire   +1 more source