(Q21708488)

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

A systematic study of the surface energetics and structure of TiO2(110) by first-principles calculations

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Constraints on the crystalline structure of the inner core: Mechanical instability of BCC iron at high pressure

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Self-Consistent Equations Including Exchange and Correlation Effects

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Transferability of pseudopotentials

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Self-interaction correction to density-functional approximations for many-electron systems

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Nonlinear ionic pseudopotentials in spin-density-functional calculations

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Pseudopotentials that work: From H to Pu

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Optimized pseudopotentials

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Orientational ordering in mixed cyanide crystals: (NaCN)1-x(KCN)x

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Analysis of separable potentials

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Operator approach in the linearized augmented-plane-wave method: Efficient electronic-structure calculations including forces

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Ab initiomolecular dynamics for open-shell transition metals

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Augmented-plane-wave calculations on small molecules

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Projector augmented-wave method

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Iron at high pressure: Linearized-augmented-plane-wave computations in the generalized-gradient approximation

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

First-principles theory of iron up to earth-core pressures: Structural, vibrational, and elastic properties

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Atomic and electronic structures of oxygen-adsorbed Si(001) surfaces

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Separable dual-space Gaussian pseudopotentials

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Ab initiocalculations of the cohesive, elastic, and dynamical properties ofCoSi2by pseudopotential and all-electron techniques

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Cohesive energy of 3d transition metals: Density functional theory atomic and bulk calculations

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

First-principles study on energetics of c-BN(001) reconstructed surfaces

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Role of silicon vacancies in yttrium-disilicide compounds from ab initio calculations

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Norm-Conserving Pseudopotentials

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Ground State of the Electron Gas by a Stochastic Method

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVB.59.1758

7 January 2021

Identifiers

DOI

10.1103/PHYSREVB.59.1758

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

109168

OpenCitations bibliographic resource ID

109168

1 reference