Researchers at NIST and Indiana University have achieved a new record in quantum calculations by determining the energy required to separate hydrogen atoms in a hydrogen molecule (H2) with unprecedented accuracy. Their calculations, accurate to 1 part in 100 billion, are 100 times more precise than previous theoretical or experimental values.
The team developed a hybrid algorithm that combines two existing methods for these calculations, allowing them to solve the Schrödinger equation more efficiently. They used a 147-processor parallel cluster at NIST to perform the calculations over a weekend, which would have taken six months on a single processor.
These highly accurate values are important for astronomers studying hydrogen clouds in space and for anyone working with precision hydrogen spectroscopy. The researchers’ innovative computational approach could have broader implications for solving complex quantum mechanical problems in various fields.
Source: https://www.nist.gov/news-events/news/2006/03/algorithm-advance-produces-quantum-calculation-record
Keywords: Hydrogen, Quantum Mechanics, Precision
