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<scp>QSym</scp><scp><sup>2</sup></scp>: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Magnetic optical rotation from real-time simulations in finite magnetic fields

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for...

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Real-time time-dependent self-consistent field methods with dynamic magnetic fields

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Semiempirical Methods for Molecular Systems in Strong Magnetic Fields

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Modeling interactions between rubidium atom and magnetometer cell wall molecules

Project: topDFT

Updated at: 01-10-2024

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Project acronym topDFT

Structural and electronic studies of substituted m -terphenyl lithium complexes

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Data Management Plan

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Extending conceptual DFT to include external variables: the influence of magnetic fields

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Metho...

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Ba...

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Exact constraints and appropriate norms in machine-learned exchange-correlation functionals

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Topological Analysis of Magnetically Induced Current Densities in Strong Magnetic Fields Using Stagnation Graphs

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Periodic Reporting for period 3 - topDFT (A topological approach to electron correlation in density-functional theories)

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Structural and Electronic Studies of Substituted <i>m</i>-Terphenyl Group 12 Complexes

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

An Embedded Fragment Method for Molecules in Strong Magnetic Fields

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

GW quasiparticle energies of atoms in strong magnetic fields

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Optimizing Molecular Geometries in Strong Magnetic Fields

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Revealing the exotic structure of molecules in strong magnetic fields

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry

Project: topDFT

Updated at: 27-04-2024

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Project acronym topDFT

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<scp>QSym</scp><scp><sup>2</sup></scp>: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure

Magnetic optical rotation from real-time simulations in finite magnetic fields

Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT

Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for...

Real-time time-dependent self-consistent field methods with dynamic magnetic fields

Semiempirical Methods for Molecular Systems in Strong Magnetic Fields

Modeling interactions between rubidium atom and magnetometer cell wall molecules

Structural and electronic studies of substituted m -terphenyl lithium complexes

Data Management Plan

Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study

Extending conceptual DFT to include external variables: the influence of magnetic fields

Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Metho...

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Ba...

Exact constraints and appropriate norms in machine-learned exchange-correlation functionals

Topological Analysis of Magnetically Induced Current Densities in Strong Magnetic Fields Using Stagnation Graphs

Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method

Periodic Reporting for period 3 - topDFT (A topological approach to electron correlation in density-functional theories)

Structural and Electronic Studies of Substituted <i>m</i>-Terphenyl Group 12 Complexes

An Embedded Fragment Method for Molecules in Strong Magnetic Fields

Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory

GW quasiparticle energies of atoms in strong magnetic fields

Optimizing Molecular Geometries in Strong Magnetic Fields

Revealing the exotic structure of molecules in strong magnetic fields

Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry