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Platinum, gold, and silver standards of intermolecular interaction energy calculations
(2020-03-10)
High-accuracy noncovalent interaction energies are indispensable as data points for potential energy surfaces and as benchmark values for improving and testing more approximate approaches. The preferred algorithm (the gold ...
Severe mammal declines coincide with proliferation of invasive Burmese pythons in Everglades National Park
(2020-04-01)
Invasive species represent a significant threat to global biodiversity
and a substantial economic burden. Burmese pythons, giant
constricting snakes native to Asia, now are found throughout
much of southern Florida, ...
Lifestyles and phylogeny explain bird life histories
(2022-09-16)
Ring/Shell Ion Distributions at Geosynchronous Orbit
(2020-05-28)
One year's worth of plasma observations from geosynchronous orbit is examined for ion distributions that may simultaneously be subject to the ion Bernstein (IB) instability (generating fast magnetosonic waves) and the ...
Rapid evolution of disease resistance is accompanied by functional changes in gene expression in a wild bird
(2020-06-03)
Wild organisms are under increasing pressure to adapt rapidly to environmental changes. Predicting the impact of these changes on natural populations requires an understanding of the speed with which adaptive phenotypes ...
Whistler anisotropy instabilities as the source of banded chorus: Van Allen Probes observations and particle-in-cell simulations
(2020-06-05)
Magnetospheric banded chorus is enhanced whistler waves with frequencies (r)<(e), where (e) is the electron cyclotron frequency, and a characteristic spectral gap at (r)similar or equal to(e)/2. This paper uses spacecraft ...
Spin splittings from first-order symmetry-adapted perturbation theory without single-exchange approximation
(2020-05-20)
The recently proposed spin-flip symmetry-adapted perturbation theory (SF-SAPT) first-order exchange energy [Patkowski et al., J. Chem. Phys. 148, 164110 (2018)] enables the standard open-shell SAPT approach to treat arbitrary ...
Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies
(2020-05-20)
We introduce a new class of perturbation models-the cluster perturbation (CP) models-where the major drawbacks of Moller-Plesset perturbation theory and coupled cluster perturbation theory have been eliminated. In CP theory, ...
Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties
(2020-05-20)
The theoretical foundation has been developed for establishing whether cluster perturbation (CP) series for the energy, molecular properties, and excitation energies are convergent or divergent and for using a two-state ...