... Royal Arsenal Woolwich. Letter. From Charles Roylor. To Saue Rolleston, C. G. Windy. Nottingham.
0000 - Gale Group | NCCO BritishPolitics
... In mountainous regions this sloped area under‐estimation (SAUE) can have significant consequences on hydrological calculations. A ... Montana, USA, to investigate the sensitivity of the SAUE on key elements of the hydrological cycle, including ... regimes. Results revealed an increasing influence of the SAUE on all hydrological processes with increasing slope steepness. ... different exposition were quantified. Actual evapotranspiration increases with SAUE, while runoff decreases. April soil water is simulated ...
Tópico(s): Soil Moisture and Remote Sensing
2010 - Wiley | Hydrological Processes
Giles Smith, Andrew Robson, Barry J. Holmes, Janice Turner, Sandor Marai, Christina Hardyment, Mark Hall, Stella Shamoon, Robert Cole, Matthew Syed, Johnny Davis, Neelam Verjee, George Caulkin and Oliver Kay, Frances Gibb Legal Editor, Jane MacQuitty, Simon Barnes, Peter Lansley, Robert Thicknesse, Nils Ringdal and Richard Daly, Bruce McCall, Anita James, Paul Hoggart, Mark Souster, David Rhys Jones, Richard Hobson, Gene Simmons, Clare Lazaro, Jeany Devay, Bridget Jones, Mark Sutherland, Anthony Bolton, Hannah Betts, Philip Howard, Hilary Finch, Richard Beard, Carol Midgley, Christine Seib, Michael Binyon, Tom Bawden and Christine Seib, James Bone, Rachel Campbell-Johnston, David Stuart, Nic Hopkins, Dominic Wells, Clive Davis, Pat Llewellyn, Kate Reardon, Anne Gatti, Alfie Howard, Bem, Andy Brough, Carl Mortished, Caroline and Melodie, Jane Taylor-Hayhurst, Nigel Kendail, Roger Maynard, John Bungey, Kevin Eason, Geoff Brown, Philippe Naughton, Clare Stewart, Joe Joseph, Andrew Norfolk, W. H. R. Crawford, David Sharrock, Alastair Campbell, Antonia Senior, Mollie Jenkins, Mark Griffiths, Pat Gibson, Valerie Elliott Countryside Editor, David McVay, Armando Iannucci, Stephen McClarence, Beryl Bainbridge, Vinny Lee, John Clarke, Stephen Daiton, Christina McLellan, Valerie Elliott Countryside Editor and Philip Webster Political Editor, Katherine Swift, Anthony Browne, Dominic Walsh, Ruth Gledhill, Debra Craine, Mike Pattenden, Victoria Segal, Joe Morgan, Nicola Smith, Grainne Gilmore, Daniel Finkelstein, Dr Jane Collins, Dan Sabbagh, Jane Clarke, Jo Morris, Nick Robinson, Alan Hamilton, Robin Young, Mince Pies, Nick Wyke, Paul Shearer, Tina Gaudoin, David Hands, Adam LeBor, Charles Bremner, Ron Lewis, Helen Rumbelow, John Westerby and Matthew Pryor, Stefanie Marsh, Matt Dickinson Chief Football Correspondent, Tim Teeman, Toby Faber, Jim Rossignol, Derwent May, Kate Muir, Struan Hellier, Tom Chesshyre & Chloe Bryan-Brown, Ivan Hewett, Cecil Beaton, Aggie MacKenzie, Paula Hawkins, John Humphrys, David Rowan, Johny Wilkinson, Dan Silver, Felipe Fernandez-Armesto, Richard Cork, Oliver Kay, Jerome Burne, Ed Potton, Stephen Anderton, Nigel Williamson, Martin Johnson, Amber Cowan, Andrew Green, David Lister, Mark Atherton, Lisa Armstrong, John Westerby, Neil Harman, Rick Broadbent, Tom Baldwin, Chris Power, Dr Feelgood, Andrew Pierce and Daniel McGrory, Simon de Bruxelles, Migel Kendall, Mark Slater, Rob Wright, Geoffrey Dean, James Flint, Magnus Grimond, Sarah Turner, Rod Stanley, Neil Harman Tennis Correspondent, Paul Mumford, Alf Alderson, Lucia Adams, W M MacKay, Adam Sage, Adrian George, Raymond Keene, Irma Kurtz, Suzi Godson, Ray Main, Luna Rossa, Richard Brass, Nigel Thomas, Rebecca O'Connor, Gordon Ramsay, Sean MacAulay, Merry Herry, Sam Faulkner, Kaveh Solhekol, Thomas Hitzlsperger and Bruce Rioch, Xan Rice, Tamara Rojo, Jeremy Page, Tina Ogle, Lewis Smith, Jemma Chapman and Adam Sage, Cathy Harris, Patrick Hosking, Richard Owen, John Rushton, Alex Hawkes, Erica Wagner, Gareth Child, Peter Pahldes, Ryan Anson, Michael Bywater, Peter Dixon, Gabriel Rozenberg Economics Reporter, Nick Hasell, Grainne Gilmore and Guy Haydon, James Naughtie, Mrs D Land, David Hands Rugby Correspondent, Victoria O'brien, Julian Muscat, Ben Webster Transport Correspondent and Jan Raath, Paul Simons, Adam Fresco, Chris Condron, Fiona Sims, Michael Browen, Anne Ashworth, John Goodbody, Andrew Martin, Robert Crampton, Lake Coppea, Jane Shilling, Philip J Charles, Mel Webb, Jim Fisher, Roderick Strange, Matthew Parris, Graham Searjeant Financial Editor, George Caulkin, Caroline Merrell banking Correspondent, Robert Elegant, Jonathan Rendall, Russell Jenkins, John Lister-Kaye, Sam McKnight, Celia Dodd, John Angerson, Iain Finlayson, Sheila Keating, Rebecca Ley, Caitlin Moran, Ben MacIntyre, Helen Pridham, Richard Beeston, Alan J…, Ben Webster, Alison Gibson, Erin O'connor, Graham Searjeant, David Sinclair, John Naish, Annabelle Thorpe, Lewis Stuart, Kieran Falconer, Mark Henderson, Hattie Ellis, Michael Horsnell, David Henry, Chris Ayres, Lisa Verrico, Carl Mortished International Business Editor, Nigel Hawkes Health Editor, Sarah Butler, Luica Van Der Post, Benedict Nightingale, Oliver Kamm, Owen Siot Chief Sports Reporter, Darian Leader, Angus Batey, Jonathan Meades, Dr Thomas Stuttaford, Jill Crawshaw, Ben Hoyle, Tom Roundell, Russell Celyn Jones, Alyson Rudd, Paul Connolly, Sam Lister Health Correspondent and James Doran, Rosalind Miles, Tom Chesshyre, Fred Dellar, James Christopher, Abigail Rayner, Simon Crompton, Bridget Chapple and Joe Morgan, Alunmichael, Alan Lee Racing Correspondent, Alan Jackson, Owen Slot, Pat Gibson and Dileep Premachandran, Cath Urquhart Travel Editor, Sharon Krum, Jenny Davey, Edward Gorman Sailing Correspondent, Matim Aston, Daphne Lockyer, Peter Klinger, Patience Wheatcroft, Christopher Irvine, Joan Smith, Rick Lew, Michael Barnard, Chloe Bryan-Brown, W E Kerswell,
... There's Still Space for Ketchup and Worcester Saue - Two Essentiais I Really Couldn't Do without ...
2004 - Gale Group | TDA
Pallavi Dwivedi, Vivekanand Vivekanand, Nidhi Pareek, Amit Sharma, Rajesh P. Singh,
Co-cultivation of mutant Penicillium oxalicum SAUE-3.510 and Pleurotus ostreatus MTCC 1804 was evaluated for the production of xylanase–laccase mixture under solid-state fermentation (SSF) condition. Growth compatibility between mutant P. oxalicum SAUE-3.510 and white rot fungi (P. ostreatus ... derived conditions, paired culturing of mutant P. oxalicum SAUE-3.510 and P. ostreatus MTCC 1804 resulted ... achieved by co-culturing the mutant P. oxalicum SAUE-3.510 and P. ostreatus MTCC 1804. This ...
Tópico(s): Fungal Biology and Applications
2011 - Elsevier BV | New Biotechnology
Title from caption. "God saue [i.e., save] the King"--at foot. Book.
0000 - Gale Group | Sabin
Radovan Bast, Trond Saue, Johan Henriksson, Patrick Norman,
... exchange-correlation functional were ignored [J. Henriksson, T. Saue, and P. Norman, J. Chem. Phys. 128, 024105 ( ...
Tópico(s): Advanced Condensed Matter Physics
2009 - American Institute of Physics | The Journal of Chemical Physics
Pallavi Dwivedi, Vivekanand Vivekanand, Ruma Ganguly, Rajesh P. Singh,
... materials for xylanase production from mutant Penicillium oxalicum SAUE-3.510 in submerged fermentation was investigated. For ...
Tópico(s): Enzyme-mediated dye degradation
2008 - Elsevier BV | Biomass and Bioenergy
... Ian Gunn, Colin Ettinger, Vicki Wass, Dominic De Saues, Ken Oliphant and Annette Morris.Search for more ... Ian Gunn, Colin Ettinger, Vicki Wass, Dominic De Saues, Ken Oliphant and Annette Morris.Search for more ...
Tópico(s): Law, Economics, and Judicial Systems
2006 - Wiley | Modern Law Review
... In a previous paper [L. Visscher and T. Saue, J. Chem. Phys., 2000, 113, 3996] we demonstrated ...
Tópico(s): Advanced NMR Techniques and Applications
2005 - Elsevier BV | Advances in quantum chemistry
... das Verhalten dem des normalen Stillens ähnelt. Sechs Säue wurden wiederholt auf diese Weise stimuliert, um ihr ... Hand-Stimulation verursachter Milchproduktion, angelegt wurden begannen die Säue zu stillen, produzierten aber keine Milch. Das lässt ...
Tópico(s): Infant Health and Development
1975 - Elsevier BV | British Veterinary Journal
J R Bailey, A.E. Wrathall, Peter G. Mantle,
... 0,25% Ergotamin enthielten, wurden an insgesamt 9 Säue in einer Dosierung von 5 und 80 g ... als Kontrolltiere. Die Resultate wurden beurteilt nachdem die Säue am 30. Tage geschlachtet worden waren; quantitative Messungen ...
Tópico(s): Plant and fungal interactions
1973 - Elsevier BV | British Veterinary Journal
... drei Experimente statt, während deren das Grunzen trächtiger Säue während verschiedener Arten von manueller Stimulation auf Band ... das hintere Ende allein gereizt wurde, grunzten die Säue selten und manche von ihnen drehten sich um ...
Tópico(s): Animal Nutrition and Physiology
1973 - Elsevier BV | British Veterinary Journal
Haifeng Yao, Ting Li, Yunchao Song, Wei Ji, Yan Liang, Fei Li,
... output (MIMO) systems with single- antenna user equipment (SAUE) or multiple-antenna user equipment (MAUE), with the ...
Tópico(s): Advanced Wireless Communication Technologies
2022 - Springer Science+Business Media | EURASIP Journal on Advances in Signal Processing
Stefan Knecht, Michal Repiský, Hans Jørgen Aa. Jensen, Trond Saue,
Based on self-consistent field (SCF) atomic mean-field (amf) quantities, we present two simple, yet computationally efficient and numerically accurate matrix-algebraic approaches to correct both scalar-relativistic \textit{and} spin-orbit two-electron picture-change effects (PCE) arising within an exact two-component (X2C) Hamiltonian framework. Both approaches, dubbed amfX2C and e(xtended)amfX2C, allow us to uniquely tailor PCE corrections to mean-field models, $viz.$ Hartree-Fock or Kohn-Sham DFT, in ...
Tópico(s): X-ray Spectroscopy and Fluorescence Analysis
2022 - American Institute of Physics | The Journal of Chemical Physics
Ayaki Sunaga, Maen Salman, Trond Saue,
We report the implementation of effective quantum electrodynamics (QED) potentials for all-electron four-component relativistic molecular calculations using the DIRAC code. The potentials are also available for two-component calculations, being properly picture-change transformed. The latter point is important; we demonstrate through atomic calculations that picture-change errors are sizable. Specifically, we have implemented the Uehling potential [E. A. Uehling, Phys. Rev. 48, 55 (1935)] for vacuum ...
Tópico(s): Cold Atom Physics and Bose-Einstein Condensates
2022 - American Institute of Physics | The Journal of Chemical Physics
Parity-violating energies EPV of the H2X2 (X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimised basis sets. Radiative corrections to the EPV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H2Po2. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity.
Tópico(s): Quantum, superfluid, helium dynamics
2021 - Taylor & Francis | Molecular Physics
Lukáš F. Pašteka, Trygve Helgaker, Trond Saue, Dage Sundholm, Hans‐Joachim Werner, Mustafa Hasanbulli, J. Major, Peter Schwerdtfeger,
We present a detailed non-relativistic study of the atoms H, He, C and K and the molecule CH4 in the centre of a spherical soft confinement potential of the form VN(r)=(r/r0)N with stiffness parameter N and confinement radius r0. The soft confinement potential approaches the hard-wall limit as N→∞, giving a more detailed picture of spherical confinement. The confined hydrogen atom is considered as a base model: it is treated numerically to obtain ground- and excited-state energies and nodal positions ...
Tópico(s): Molecular Spectroscopy and Structure
2020 - Taylor & Francis | Molecular Physics
Melis Yilmaz Balban, Erin Cafaro, Lauren Saue-Fletcher, Marlon J. Washington, Maryam Bijanzadeh, A. Moses Lee, Edward F. Chang, Andrew D. Huberman,
Vision is the primary sense humans use to evaluate and respond to threats. Understanding the biological underpinnings of the human threat response has been hindered by lack of realistic in-lab threat paradigms. We established an immersive virtual reality (VR) platform to simultaneously measure behavior, physiological state, and neural activity from the human brain using chronically implanted electrodes. Subjects with high anxiety showed increased visual scanning in response to threats as compared ...
Tópico(s): Neural dynamics and brain function
2020 - Elsevier BV | Current Biology
Trond Saue, Radovan Bast, André Severo Pereira Gomes, Hans Jørgen Aa. Jensen, Lucas Visscher, I. Agustín Aucar, Roberto Di Remigio, Kenneth G. Dyall, Ephraim Eliav, Elke Faßhauer, Timo Fleig, Loïc Halbert, Erik Donovan Hedegård, Benjamin Helmich‐Paris, Miroslav Iliaš, Christoph R. Jacob, Stefan Knecht, Jon K. Laerdahl, Marta L. Vidal, Malaya K. Nayak, Małgorzata Olejniczak, Jógvan Magnus Haugaard Olsen, Markus Pernpointner, Bruno Senjean, Avijit Shee, Ayaki Sunaga, Joost N. P. van Stralen,
DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree-Fock, Kohn-Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled cluster theory. At the self-consistent-field level, a highly original scheme, based on quaternion algebra, is implemented for the treatment of both spatial ...
Tópico(s): High-pressure geophysics and materials
2020 - American Institute of Physics | The Journal of Chemical Physics
Stefan Knecht, Hans Jørgen Aa. Jensen, Trond Saue,
Understanding the bonding, reactivity and electronic structure of actinides is lagging behind that of the rest of the periodic table. This can be partly explained by the challenges that one faces in experimental studies of such radioactive compounds and also by the need to properly account for relativistic effects in theoretical studies. A further challenge is the very complicated electronic structures encountered in actinide chemistry, as vividly illustrated by the naked diuranium molecule U2. ...
Tópico(s): Inorganic Chemistry and Materials
2018 - Nature Portfolio | Nature Chemistry
Avijit Shee, Trond Saue, Lucas Visscher, André Severo Pereira Gomes,
We report in this paper an implementation of 4-component relativistic Hamiltonian based Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the calculation of ionization potential (IP), electron affinity (EA) and excitation energy (EE). In this work we utilize previously developed double group symmetry-based generalized tensor contraction scheme, and also extend it in order to carry out tensor contractions involving non-totally symmetric and odd-ranked tensors. Several ...
Tópico(s): Fullerene Chemistry and Applications
2018 - American Institute of Physics | The Journal of Chemical Physics
Anne Gobin, Kurt Christian Kersebaum, Josef Eitzinger, Miroslav Trnka, Petr Hlavinka, Jozef Takáč, J.G. Kroes, Domenico Ventrella, Anna Dalla Marta, Johannes Deelstra, Branislava Lalić, Pavol Nejedlík, Simone Orlandini, Pirjo Peltonen‐Sainio, Ari Rajala, Triin Saue, Levent Şaylan, Ružica Stričević, Višnja Vučetić, Christos Zoumides,
Crop growth and yield are affected by water use during the season: the green water footprint (WF) accounts for rain water, the blue WF for irrigation and the grey WF for diluting agri-chemicals. We calibrated crop yield for FAO’s water balance model “Aquacrop” at field level. We collected weather, soil and crop inputs for 45 locations for the period 1992–2012. Calibrated model runs were conducted for wheat, barley, grain maize, oilseed rape, potato and sugar beet. The WF of cereals could be up to ...
Tópico(s): Agriculture Sustainability and Environmental Impact
2017 - Multidisciplinary Digital Publishing Institute | Water
Lukas Konecny, Marius Kadek, Stanislav Komorovský, Olga L. Malkina, Kenneth Ruud, Michal Repiský,
... closely the X2C decoupling procedure of Ilias and Saue [ J. Chem. Phys. 2007 , 126 , 064102 ] proposed earlier ...
Tópico(s): Laser-Matter Interactions and Applications
2016 - American Chemical Society | Journal of Chemical Theory and Computation
Nanna Holmgaard List, Trond Saue, Patrick Norman,
Based on the recently developed implementation of the full semi-classical field–matter interaction operator, we present a numerically accurate yet efficient scheme to perform rotational averaging of linear absorption spectra beyond the electric-dipole approximation. This allows for a gauge-origin independent determination of UV/vis and X-ray absorption spectra for randomly oriented systems such as multilayers, liquids, and gas phase samples. The approach is illustrated by the determination of spectral ...
Tópico(s): Atmospheric Ozone and Climate
2016 - Taylor & Francis | Molecular Physics
Adel Almoukhalalati, Stefan Knecht, Hans Jørgen Aa. Jensen, Kenneth G. Dyall, Trond Saue,
This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy. In practice, what is reported is the basis set correlation energy, where the "exact" value is provided by a full Configuration Interaction (CI) calculation with some specified one-particle basis. The extension ...
Tópico(s): Molecular Junctions and Nanostructures
2016 - American Institute of Physics | The Journal of Chemical Physics
Christopher South, Avijit Shee, Debashis Mukherjee, Angela K. Wilson, Trond Saue,
We present a 4-component relativistic study of uranium 2p3/2 ionization and excitation in the isoelectronic series UO2(2+), OUN(+) and UN2. We calculate ionization energies by ΔSCF at the Hartree-Fock (HF) and Kohn-Sham (KS) level of theory. At the ΔHF level we observe a perfectly linear chemical shift of ionization energies with respect to uranium atomic charges obtained from projection analysis. We have also developed a non-canonical 2nd-order Møller-Plesset code for wave function based correlation ...
Tópico(s): Atmospheric chemistry and aerosols
2016 - Royal Society of Chemistry | Physical Chemistry Chemical Physics
Avijit Shee, Lucas Visscher, Trond Saue,
We present a formulation and implementation of the calculation of (orbital-unrelaxed) expectation values at the 4-component relativistic coupled cluster level with spin-orbit coupling included from the start. The Lagrangian-based analytical energy derivative technique constitutes the basic theoretical framework of this work. The key algorithms for single reference relativistic coupled cluster have been implemented using routines for general tensor contractions of up to rank-2 tensors in which the ...
Tópico(s): Advanced NMR Techniques and Applications
2016 - American Institute of Physics | The Journal of Chemical Physics
Nanna Holmgaard List, Joanna Kauczor, Trond Saue, Hans Jørgen Aa. Jensen, Patrick Norman,
We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever ...
Tópico(s): Advanced Chemical Physics Studies
2015 - American Institute of Physics | The Journal of Chemical Physics
Avijit Shee, Stefan Knecht, Trond Saue,
Spectroscopic constants for the homonuclear dimers of the very heavy rare gases radon (Rn) and eka-radon (Uuo) are reported. A computational protocol using the eXact 2-Component molecular-mean field Hamiltonian has been established based on extensive calculations of the xenon dimer. We find that reliable results require CCSD(T) calculations at the extrapolated basis set limit. In this limit counterpoise corrected results are closer to experimentally derived values than uncorrected ones. Furthermore, ...
Tópico(s): Quantum, superfluid, helium dynamics
2015 - Royal Society of Chemistry | Physical Chemistry Chemical Physics
Erik Donovan Hedegård, Stefan Knecht, Ulf Ryde, Jacob Kongsted, Trond Saue,
A computational protocol for 57 Fe isomer shifts, based on the relativistic eXact 2-Component Hamiltonian (X2C), is applied to discriminate between proposed intermediates of [Fe]-hydrogenase. Detailed analysis reveals that the difference in isomer shifts between two intermediates is due to an overlap effect.
Tópico(s): Advanced Chemical Physics Studies
2014 - Royal Society of Chemistry | Physical Chemistry Chemical Physics