Peter Schwerdtfeger
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Explore the profile of Peter Schwerdtfeger including associated specialties, affiliations and a list of published articles.
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Articles
126
Citations
530
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Recent Articles
1.
Janke K, Wedenig A, Schwerdtfeger P, Gaul K, Berger R
J Chem Phys
. 2025 Mar;
162(10).
PMID: 40067006
Vacuum polarization (VP) and electron self-energy (SE) are implemented and evaluated as quantum electrodynamic (QED) corrections in a (quasi-relativistic) two-component zeroth order regular approximation (ZORA) framework. For VP, the Uehling...
2.
Cooper S, Robles-Navarro A, Smits O, Schwerdtfeger P
J Chem Phys
. 2025 Jan;
162(1).
PMID: 39745164
The theory of periodic Barlow multi-lattices (X1X2…XN)∞ with Xi ∈ {A, B, C} and Xi ≠ Xi+1 of stacked two-dimensional hexagonal close-packed layers is presented and used to derive exact...
3.
Cooper S, Robles-Navarro A, Smits O, Schwerdtfeger P
J Phys Chem Lett
. 2024 Aug;
15(32):8387-8392.
PMID: 39115313
There are infinitely many distinguishable dense sphere packings in dimension three (Barlow structures) with maximum packing density of ρ = π/√18. While Hales [Hales, T. C. 2005, 162, 1065-1185.] proved...
4.
Ahdar R, Boyd B, Chaudhuri A, Clements K, Cooper G, Elliffe D, et al.
Science
. 2024 Jul;
385(6705):151-152.
PMID: 38991071
No abstract available.
5.
Schwerdtfeger P, Wales D
J Chem Theory Comput
. 2024 Apr;
20(9):3379-3405.
PMID: 38669689
It is now 100 years since Lennard-Jones published his first paper introducing the now famous potential that bears his name. It is therefore timely to reflect on the many achievements,...
6.
Ostojic B, Stankovic B, dordevic D, Schwerdtfeger P
Phys Chem Chem Phys
. 2024 Feb;
26(25):17504-17520.
PMID: 38416048
The photo-catalytic reduction of CO into chemical feedstocks using solar energy has attracted vast interest in environmental science because of global warming. Based on our previous study on the CO...
7.
Eduardus , Shagam Y, Landau A, Faraji S, Schwerdtfeger P, Borschevsky A, et al.
Chem Commun (Camb)
. 2023 Nov;
59(98):14579-14582.
PMID: 37990542
The isotopically chiral molecular ion CHDBrI is identified as an exceptionally promising candidate for the detection of parity violation in vibrational transitions. The largest predicted parity-violating frequency shift reaches 1.8...
8.
Robles-Navarro A, Jerabek P, Schwerdtfeger P
Angew Chem Int Ed Engl
. 2023 Oct;
63(1):e202313679.
PMID: 37877444
Why the Group 1 elements crystallize in the body-centered cubic (bcc) structure, and the iso-electronic Group 11 elements in the face-centered cubic (fcc) structure, remains a mystery. Here we show...
9.
Burrows A, Cooper S, Schwerdtfeger P
Phys Rev E
. 2023 Jul;
107(6-2):065302.
PMID: 37464642
We continue the work by Lennard-Jones and Ingham, and later by Kane and Goeppert-Mayer, and present a general lattice sum formula for the hexagonal close packed (hcp) structure with different...
10.
Schwerdtfeger P, Smits O, Pyykko P
Nat Rev Chem
. 2023 May;
4(7):359-380.
PMID: 37127952
Mendeleev's introduction of the periodic table of elements is one of the most important milestones in the history of chemistry, as it brought order into the known chemical and physical...