Topic: basis-set Goto Github
Some thing interesting about basis-set
Some thing interesting about basis-set
basis-set,Variational quantum eigensolver (VQE) with top-level basis set optimization for electronic structure.
User: frankwswang
basis-set,Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
User: frankwswang
Home Page: https://frankwswang.github.io/Quiqbox.jl/stable
basis-set,Vector Spherical Harmonics in Julia following the phase conventions of Varshalovich et al. (1988)
User: jishnub
basis-set,Analytic basis function definitions in Julia.
Organization: juliastellardynamics
basis-set,Python tools for quantum chemical calculations
User: lmmentel
basis-set,This is a web application/ onilne tool that allows you to enter a basis set in the form of text input for a variety of Quantum Chemistry softwares, and convert it to another format.
User: manassharma07
Home Page: https://basis-set.streamlit.app/
basis-set,Interactively search for Gaussian basis sets
User: mfherbst
basis-set,Solution of Hartree-Fock equations within Pople's STO-3G basis set
User: rmeli
basis-set,This application will help you choose among a variety of basis sets and calculate the total count of their gaussian and contracted functions of any molecule of your choice.
User: sanchit611
basis-set,🐰 Simple basis set parser for the ORCA quantum chemistry package
User: schneiderfelipe
Home Page: https://github.com/schneiderfelipe/orcabas
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