ArticleJournal of chemical theory and computation2025
Equation-of-Motion Coupled-Cluster Variants in Combination with Perturbative Triples Corrections in Strong Magnetic Fields.
Article in Journal of chemical theory and computation, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
1 citing paper in PubMed.
- Exploitation of Complex Abelian Point Groups in Quantum-Chemical Calculations.The journal of physical chemistry. A · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this paper, we report on the implementation of the EOM spin-flip (SF), ionization-potential (IP), and electron-affinity (EA) coupled cluster singles doubles (CCSD) methods for atoms and molecules in strong magnetic fields for energies as well as one-electron properties. Moreover, non-perturbative triples corrections using the EOM-CCSD(T)(a)* scheme were implemented in the finite-field framework for the EE, SF, IP, and EA variants. These developments allow access to a large variety of electronic states as well as the investigation of IPs and EAs in a strong magnetic field. The last two indicate the relative stability of the different oxidation states of elements. The increased flexibility to target challenging electronic states and access to the electronic states of the anion and cation are important for the assignment of spectra from strongly magnetic white dwarf (WD) stars. Here, we investigate the development of IPs and EAs in the presence of a magnetic field for the elements of the first and second rows of the periodic table. In addition, we study the development of the electronic structure of Na, Mg, and Ca in an increasingly strong magnetic field that aided in the assignment of metal lines in a magnetic WD. Lastly, we investigate the electronic excitations of CH in different magnetic-field orientations and strengths, a molecule that has been found in the atmospheres of WD stars.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.