Results 111 to 120 of about 6,172 (209)

Best practices in `0 K' DFT energy calculations on molecular crystal structures

Acta Crystallographica Section C, Volume 82, Issue 8, Page 383-400, August 2026.
This article describes best practices for `zero Kelvin' energy calculations on molecular crystals and is targeted for non‐experts who would like to perform their own calculations or assess the accuracy and validity of such calculations reported in the scientific literature.This article describes best practices for `zero Kelvin' energy calculations on ...
Jacco van de Streek, Erin R. Johnson
wiley   +1 more source

Between famine and freedom: Food prices during the Indonesian War of Independence, 1945–9

The Economic History Review, Volume 79, Issue 3, Page 1082-1107, August 2026.
Abstract This paper investigates how the Indonesian War of Independence (1945‒9) influenced staple food prices, and how fluctuations in those prices, in turn, shaped the trajectory and dynamics of the conflict. We compiled a dataset comprising more than 8600 prices for staple foods covering the entire Indonesian archipelago from 1939‒49, allowing us to
Ingrid de Zwarte, Helmi Moret, Pim de Zwart   +2 more
wiley   +1 more source

The Illusion of Simplicity: The Dramatic Failure of Koopmans’ Theorem for Antioxidants in Solvents—The Ascorbic Acid Paradigm

ChemPhysChem, Volume 27, Issue 13, 14 July 2026.
Koopmans’ theorem creates an illusion of simplicity but fails dramatically for antioxidants in solvents, missing strong solvation effects on IP, EA, and HOMO‐LUMO gap. Ascorbic acid serves as the paradigmatic case, demonstrating the necessity of explicit calculations.
Ioan Bâldea
wiley   +1 more source

Generalized Gram–Hadamard inequality

Journal of Inequalities and Applications, 1998
We generalize the classical Gram determinant inequality. Our generalization follows from the boundedness of the antisymmetric tensor product operator. We use fermionic Fock space methods.
Scharf Günter, Constantinescu Florin   +1 more
doaj  

On BRST Lagrangian description of partially massless bosonic fields

European Physical Journal C: Particles and Fields
We present an exhaustive BRST lagrangian description of partially massless bosonic fields in four-dimensional space. The basic fields are formulated in terms of two-component spin-tensors in (A)dS space where the tracelessness conditions are ...
I. L. Buchbinder, S. A. Fedoruk, V. A. Krykhtin   +2 more
doaj   +1 more source

Riemannian optimization of photonic quantum circuits in phase and Fock space

SciPost Physics
We propose a framework to design and optimize generic photonic quantum circuits composed of Gaussian objects (pure and mixed Gaussian states, Gaussian unitaries, Gaussian channels, Gaussian measurements) as well as non-Gaussian effects such as photon ...
Yuan Yao, Filippo Miatto, Nicolás Quesada
doaj   +1 more source

The semiclassical propagator in Fock space: dynamical echo and many-body interference. [PDF]

Philos Trans A Math Phys Eng Sci, 2016
Engl T, Urbina JD, Richter K.
europepmc   +1 more source

Multireference Fock Space Coupled-Cluster Method for the (3,0) Sector. [PDF]

J Phys Chem A
Musial M, Kucharski SA.
europepmc   +1 more source

Fock Space Coupled-Cluster Method for the Ground and Excited States of the NaMg⁺ Molecular Cation. [PDF]

J Phys Chem A
Skrzyński G, Musial M.
europepmc   +1 more source