Density Functional Theory (DFT) is an electronic-structure theory that computes the electronic energy of atoms and molecules from their electron density. Among several DFT methods, one called “hybrid ...

News UK & World News Transport Update on concessionary travel before 9.30am on buses as DfT admits 'next steps' Department for Transport says a review is looking into disabled passes to allow them ...

An update has been given to campaigners pushing for all people over the age of 60 in England to be given free bus passes - like their counterparts in Scotland, Northern Ireland and Wales. A ...

A total of £40.5bn has been spent so far to deliver HS2, according to the Department for Transport’s latest update to parliament. The spiralling cost of the scheme has been the subject of public ...

A man who forced the closure of a busy dual carriageway as he engaged in a seven-hour standoff with police, has been jailed.

The Department for Transport is talking to three operators about a potential joint order for new trains. DfT Director General for Rail Services, Alex Hynes, told the Transport Select Committee the ...

The Department for Education has responded to a petition for children with special educational needs to be granted 10 days of holiday during term time without being fined ...

This letter presents a novel, fast and accurate DFT-based algorithm for the frequency estimation of 2-D multi-component sinusoidal signals. We show that the proposed method attains the Cramér-Rao ...

Department for Transport staff were ordered to stop working on plans to dual the A1 in Northumberland back in 2021 – three years before it was approved by the Conservative Government, leaked documents ...

Structure engineering of boron dipyrromethene (BODIPY) organic dye, to increase its light-harvesting efficiency in dye-sensitized solar cells, has been the subject of rigorous research recently.

We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic ...