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14 lines
737 B
Plaintext
14 lines
737 B
Plaintext
QMCPACK is an open-source, high-performance electronic structure code that
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implements numerous Quantum Monte Carlo algorithms. Its main applications are
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electronic structure calculations of molecular, periodic 2D and periodic 3D
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solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC)
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and a number of other advanced QMC algorithms are implemented.
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By directly solving the Schrodinger equation, QMC methods offer greater accuracy
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than methods such as density functional theory, but at a trade-off of much
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greater computational expense. Distinct from many other correlated many-body
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methods, QMC methods are readily applicable to both bulk (periodic) and isolated
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molecular systems.
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WWW: https://www.qmcpack.org/
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