Catálogo Bibliográfico
LDR | ·····cam##22·····7a#4500 |
001 | 016612 |
005 | 20121030134602.0 |
008 | 100301s2009####enka###f#bi###001#0#eng#d |
245 | 10 | $a Ab initio molecular dynamics : $b basic theory and advanced methods / $c Dominik Marx and Jürg Hutter. |
260 | ## | $a Cambridge ; $a New York : $b Cambridge University Press, $c 2009. |
300 | ## | $a x, 567 p. : $b il. ; $c 26 cm. |
504 | ## | $a Incluye referencias bibliográficas (p. 419-549) e índices. |
505 | 0# | $a Setting the stage : why ab initio molecular dynamics? -- Getting started : unifying MD and electronic structure -- Implementation : using the plane wave basis set -- Atoms with plane waves : accurate pseudopotentials -- Beyond standard ab initio molecular dynamics -- Beyond norm-conserving pseudopotentials -- Computing properties -- Parallel computing -- From materials to biomolecules -- Properties from ab initio simulations. |
020 | ## | $a 9780521898638 |
020 | ## | $a 0521898633 |
100 | 1# | $a Marx, Dominik. |
700 | 1# | $a Hutter, Jürg. |
080 | ## | $a 539.19:519.6 |
082 | 04 | $a 541.394 $2 22 |
650 | #0 | $a Molecular dynamics $x Computer simulation. |
650 | #7 | $a Many-body problem. $2 inist |
650 | #7 | $a Computerized simulation. $2 inist |
650 | #7 | $a Problema multicuerpo. $2 inist |
650 | #7 | $a Simulación computarizada. $2 inist |
010 | ## | $a ##2010286603 |
016 | 7# | $a 014760310 $2 Uk |
040 | ## | $a UKM $b spa $d arbccab $c UKM $d BWKUK $d BWK $d YDXCP $d SUC $d BWX $d TXI $d AGL $d OKU $d DLC |
050 | 00 | $a QD461 $b .M286 2009 |
070 | ## | $a QD461 $b .M287 2009 |
856 | 42 | $3 Información biográfica $u http://www.loc.gov/catdir/enhancements/fy1007/2010286603-b.html |
856 | 42 | $3 Reseña $u http://www.loc.gov/catdir/enhancements/fy1007/2010286603-d.html |
856 | 41 | $3 Indice $u http://www.loc.gov/catdir/enhancements/fy1007/2010286603-t.html |