Skip Nav Destination
Open Access
Open Access
Update search
Filter
All
- All
- Title
- Author
- Author Affiliations
- Full Text
- Abstract
- Keyword
- DOI
- ISBN
- EISBN
- ISSN
- EISSN
- Issue
- Volume
- References
Filter
All
- All
- Title
- Author
- Author Affiliations
- Full Text
- Abstract
- Keyword
- DOI
- ISBN
- EISBN
- ISSN
- EISSN
- Issue
- Volume
- References
Filter
All
- All
- Title
- Author
- Author Affiliations
- Full Text
- Abstract
- Keyword
- DOI
- ISBN
- EISBN
- ISSN
- EISSN
- Issue
- Volume
- References
Filter
All
- All
- Title
- Author
- Author Affiliations
- Full Text
- Abstract
- Keyword
- DOI
- ISBN
- EISBN
- ISSN
- EISSN
- Issue
- Volume
- References
Filter
All
- All
- Title
- Author
- Author Affiliations
- Full Text
- Abstract
- Keyword
- DOI
- ISBN
- EISBN
- ISSN
- EISSN
- Issue
- Volume
- References
Filter
All
- All
- Title
- Author
- Author Affiliations
- Full Text
- Abstract
- Keyword
- DOI
- ISBN
- EISBN
- ISSN
- EISSN
- Issue
- Volume
- References
NARROW
Format
Collections
Topics
Subjects
Journal
Article Type
Issue Section
Date
Availability
Journal Articles
Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 024111 (2025)
Published: July 2025
Journal Articles
Journal Articles
Efficient computation of the long-range exact exchange using an extended screening function
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224103 (2025)
Published: June 2025
Journal Articles
Heterostructure engineering for wurtzite LaN
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194713 (2025)
Published: May 2025
Journal Articles
Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilities
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 184106 (2025)
Published: May 2025
Journal Articles
GPU acceleration of hybrid functional calculations in the SPARC electronic structure code
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 184105 (2025)
Published: May 2025
Journal Articles
Journal Articles
Revealing the photochemical pathways of nitrate in water through first-principles simulations
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 144318 (2025)
Published: April 2025
Journal Articles
Diagrammatic multiplet-sum method (MSM) density-functional theory (DFT): Completion of the two-orbital two-electron model (TOTEM) with an application to the avoided crossing in lithium hydride (LiH)
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 144317 (2025)
Published: April 2025
Journal Articles
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 database
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 114310 (2025)
Published: March 2025
Journal Articles
Journal Articles
Spin migration in density functional theory: Energy, potential, and density perspectives
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 114301 (2025)
Published: March 2025
Journal Articles
Revisiting the manganese dimer on the base of first-principles theory
Available to PurchaseSinhué López-Moreno, Esther Elena Hernández-Vázquez, Ana Paulina Ponce-Tadeo, José Luis Ricardo-Chávez, José Luis Morán-López
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 104304 (2025)
Published: March 2025
Journal Articles
Accurate and efficient prediction of double excitation energies using the particle–particle random phase approximation
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 094101 (2025)
Published: March 2025
Journal Articles
Journal Articles
Application of the noncollinear Scalmani–Frisch formalism to current density functional theory
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 084104 (2025)
Published: February 2025
Journal Articles
Nonempirical dielectric dependent hybrid as an accurate starting point for the single shot G0W0 calculation of chalcopyrite semiconductors
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 064104 (2025)
Published: February 2025
Journal Articles
Journal Articles
Molecular conductance calculations of single-molecule junctions using projection-based density functional embedding
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 034101 (2025)
Published: January 2025
Journal Articles
Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. II. Density-based methods
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 024111 (2025)
Published: January 2025
1