Introduction to Density Functional Theory (DFT) Density Functional Theory (DFT) is a widely employed quantum mechanical method in physics and chemistry to investigate the electronic structure of many-body systems, particularly atoms, molecules, and solids. DFT has gained immense popularity because of its balance between accuracy and computational efficiency. It fundamentally relies on the idea, proposed…
Volatile Organic Compounds (VOCs) are a diverse group of organic chemicals that have a high vapor pressure at room temperature, leading to significant evaporation and release into the atmosphere. They are emitted from both natural sources, such as vegetation and wildfires, and anthropogenic sources, including industrial processes, vehicle exhaust, and consumer products like paints, solvents,…
Window Installation Download Windows 10 from the official Microsoft website via the media creation tool. Install through USB/ISO image by following the installation steps. Most likely installation problem occurs as necessary drivers are missing. This happens with intel processors (12th gen) while installing Windows 10 because Windows 10/11 won’t install drivers on newly built systems,…
Intel Core i3, 12100 quad-core CPU, 16 GB RAM, 240 GB SSD storage (Under 25000 INR or ~350 USD) Requirements Select your components: Decide what type of components you want to use in your computer. There are several components that are required for assembling a personal computer. You will need a motherboard, a processor, RAM,…
Ab initio calculations, which are quantum mechanical calculations performed without any experimentally determined input, require significant computational power. Ab initio calculations are called a Hartree-Fock (HF) calculation, where the primary approximation is the central field approximation in which the electron-electron repulsion is calculated by integrating the repulsion term. Thus, only the average effect of the…
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