Literature DB >> 9992231

Generalized norm-conserving pseudopotentials.

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Abstract

Year:  1989        PMID： 9992231     DOI： 10.1103/physrevb.40.2980

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  8 in total

1.  Organic structure determination using atomic-resolution scanning probe microscopy.

Authors:  Leo Gross; Fabian Mohn; Nikolaj Moll; Gerhard Meyer; Rainer Ebel; Wael M Abdel-Mageed; Marcel Jaspars
Journal:  Nat Chem       Date:  2010-08-01       Impact factor: 24.427

2.  Phase separation in hydrogen-helium mixtures at Mbar pressures.

Authors:  Miguel A Morales; Eric Schwegler; David Ceperley; Carlo Pierleoni; Sebastien Hamel; Kyle Caspersen
Journal:  Proc Natl Acad Sci U S A       Date:  2009-01-26       Impact factor: 11.205

3.  Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations.

Authors:  Ying Chen; Eric J Bylaska; John H Weare
Journal:  Geochem Trans       Date:  2017-03-31       Impact factor: 4.737

4.  Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations.

Authors:  Eric J Bylaska; Duo Song; Nicholas P Bauman; Karol Kowalski; Daniel Claudino; Travis S Humble
Journal:  Front Chem       Date:  2021-03-18       Impact factor: 5.221

5.  DFT-based study of the structural, optoelectronic, mechanical and magnetic properties of Ti3AC2 (A = P, As, Cd) for coating applications.

Authors:  R M Arif Khalil; Muhammad Iqbal Hussain; Nadia Luqman; Fayyaz Hussain; Anwar Manzoor Rana; Muhammad Saeed Akhtar; Rana Farhat Mehmood
Journal:  RSC Adv       Date:  2022-02-03       Impact factor: 3.361

6.  Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties.

Authors:  Simone Brozzesi; Claudio Attaccalite; Francesco Buonocore; Giacomo Giorgi; Maurizia Palummo; Olivia Pulci
Journal:  Nanomaterials (Basel)       Date:  2022-06-20       Impact factor: 5.719

7.  In Situ Pseudopotentials for Electronic Structure Theory.

Authors:  Kristofer Björnson; John Michael Wills; Mebarek Alouani; Oscar Grånäs; Patrik Thunström; Chin Shen Ong; Olle Eriksson
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2021-06-29       Impact factor: 4.126

8.  Particle-based hematite crystallization is invariant to initial particle morphology.

Authors:  Yining Wang; Sichuang Xue; Qingyun Lin; Duo Song; Yang He; Lili Liu; Jianbin Zhou; Meirong Zong; James J De Yoreo; Junwu Zhu; Kevin M Rosso; Maria L Sushko; Xin Zhang
Journal:  Proc Natl Acad Sci U S A       Date:  2022-03-11       Impact factor: 12.779
  8 in total

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