Bin Gao
Bin,
Magnus
:
Unified Framework for Molecular Response Functions of Different Electronic-Structure Models
Journal of Physical Chemistry A 2025 DOI
Bin
:
Tinned: A symbolic library for response theory and high-order derivatives
Inge Arvid,
Bin
:
On the origin of bonding in metals: lithium as a case study
Bin
:
General recurrence-relation generation scheme for molecular integral evaluation
Jun-Rong,
Yong,
Sheng-Yu,
Junfei,
Bin,
Erjun
et al.:
Accurate K-edge X-ray photoelectron and absorption spectra of g-C3N4 nanosheets by first-principles simulations and reinterpretations
Physical Chemistry, Chemical Physics - PCCP 2019 DOI
Inge Arvid,
Bin
:
Combination of large and small basis sets in electronic structure calculations on large systems
Nanna Holmgaard,
Maarten,
Jógvan Magnus Haugaard,
Bin,
Kenneth,
Hans Jørgen Aagaard
et al.:
Molecular quantum mechanical gradients within the polarizable embedding approach-Application to the internal vibrational Stark shift of acetophenone
Marius,
Lukas,
Bin,
Michal,
Kenneth
:
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix
Daniel Henrik,
Magnus,
Bin,
Kenneth
:
Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets
Bin,
Kenneth,
Yi
:
Shape-dependent electronic excitations in metallic chains
Bin,
Magnus,
Radovan,
Kenneth,
Andreas johan,
Michał
:
Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: The first dipole hyperpolarizability of retinal and related molecules
Yunfeng,
Bin,
Mingsen,
Yi
:
A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives
Magnus,
Dan Johan,
Radovan,
Bin,
Andreas johan,
Ulf
et al.:
Analytic cubic and quartic force fields using density-functional theory
Inge Arvid,
Bin
:
Perturbed atoms in molecules and solids: The PATMOS model
Journal of Chemical Physics 2013 DOI
Weijie,
Bin,
Yi
:
First-Principles Simulation of Soft X-Ray Spectroscopy
Huaxue jinzhan 2012
Weijie,
Yue-Jie,
Bin,
Hongbao,
Hans,
Yi
:
X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study
Physical Chemistry, Chemical Physics - PCCP 2012 DOI
Bin,
Kenneth,
Yi
:
Plasmon resonances in linear noble-metal chains
Journal of Chemical Physics 2012 DOI
Andreas johan,
Bin,
Kenneth,
Maxim,
Gerard,
Werner
:
Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation
Chirality 2012 DOI
Kenneth,
Radovan,
Bin,
Andreas johan,
Ulf Egil,
Lucas
:
A General Toolbox for the Calculation of Higher-Order Molecular Properties Using SCF Wave Functions at the One-, Two- and Four-Component Levels of Theory
AIP Conference Proceedings 2012 DOI
Jiayuan,
Weijie,
Bin
:
Theoretical study of two I-h-symmetry-breaking C-60 isomers and their chlorinated species in core-excited and ground states
Chemical Physics Letters 2012 DOI
Bin,
Andreas johan,
Kenneth
:
GEN1INT: A Unified Procedure for the Evaluation of One-Electron Integrals Over Gaussian Basis Functions and Their Geometric Derivatives
International Journal of Quantum Chemistry 2011 DOI
Radovan,
Ekstrom,
Bin,
Trygve,
Kenneth,
Andreas johan
:
The ab initio calculation of molecular electric, magnetic and geometric properties
Physical Chemistry, Chemical Physics - PCCP 2011 DOI
Weijie,
Hiroyuki,
Bin,
Jun,
Shuhua,
Hiroyuki
et al.:
Systematic Study of Soft X-ray Spectra of Poly(Dg)center dot Poly(Dc) and Poly(Da)center dot Poly(Dt) DNA Duplexes
Journal of Physical Chemistry B 2010 DOI
J,
L,
Bin,
ZY,
Wei,
J.
et al.:
Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters
Journal of Applied Physics 2010 DOI
Bin,
Kenneth,
Andreas johan
:
GEN1INT: A unified procedure for the evaluation of one-electron integrals over Gaussian basis functions and their geometric derivatives
International Journal of Quantum Chemistry 2010 DOI
Weijie,
Bin,
Shuhua,
Hans,
Yi
:
Refinement of DNA Structures through Near-Edge X-ray Absorption Fine Structure Analysis: Applications on Guanine and Cytosine Nucleobases, Nucleosides, and Nucleotides
Journal of Physical Chemistry B 2010 DOI
Weijie,
Bin,
Shuhua,
H,
Yi
:
X-ray absorption spectra of graphene from first-principles simulations
Physical Review B. Condensed Matter and Materials Physics 2010 DOI
Bin,
Jun,
Yi
:
Simulation of electronic structure of nanomaterials by central insertion scheme
Frontiers of Physics in China 2009 DOI
J,
Bin,
T-T,
Y
:
Ab initio study of energy band structures of GaAs nanoclusters
Applied Physics Letters 2009 DOI
Bin,
ZiYu,
H,
Y
:
Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes
Journal of Chemical Physics 2009 DOI
Bin,
Magnus
:
Rusted, Tinned SymResponse
2025
Bin
:
Open-end Response Theory Programming
2023
Magnus,
Radovan,
Daniel Henrik,
Bin,
Dan Johan,
Kenneth
et al.:
Analytic high-order properties with OpenRSP
2016
Magnus,
Radovan,
Bin,
Dan Johan,
Andreas johan,
Kenneth
:
The recursive open-ended response code OpenRSP
2014
Magnus,
Radovan,
Bin,
Dan Johan,
Andreas johan,
Kenneth
:
A general, recursive open-ended response code: High-order SCF level properties
2013
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