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Turbomole Code
Program Package For Electronic Structure Calculations : TURBOMOLE package
Features at a Glance All standa…
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Tutorials
Introduction into calculations on molecules with TURBOMOLE package
TURBOMOLE package molecules: structure optimization, visualization of orbitals and charge densities, ionization energies & electro n affinit…
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Atomic Codes
arc-alkali-rydberg-calculator
Installation instructions Prerequisite: Python Install Python and packages for scientific computing in Python (scip…
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Atomic Codes
CP2K Package
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, peri…
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Helium Atom
Ground-State Energy Calculation of Helium Atom Using Quantum Monte Carlo CASINO-Code
Sylvester A. Ekong 1 *, Mariam T. Oloye 2 , David A. Oyegoke 2 Abstract We report an improved variational Monte Carlo (VMC) calcula…
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Hylleraas
Hylleraas–Configuration Interaction calculations on the 11S ground state of helium atom
MarÃa Belén Ruiz Pages 3340-3361 | Received 07 Apr 2015, Accepted 29 May 2015, Accepted author version posted online: 29 Jun 2015, Pu…
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Helium Atom
Experiment and theory in computations of the he atom ground state
CHARLES SCHW AR TZ Dep artment of Physics, University of California, Berkeley, California 94720, USA schwartz@physics.b erkeley.e du Rece…
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Hello, my name is Dr Abderrahmane Reggad. I'm a 51 year old and I am a researcher in materials' sciences.
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