<br><div>I'm a physicist but with a good understanding of numerical techniques.</div><div><br></div><div>I'm involved with a project for which radium chemistry is important. Because radium is radioactive laboratory experiments are difficult.</div><div><br></div><div>I would to know whether modern computational chemistry techniques can make useful predictions regarding radium chemistry.</div><div><br></div><div>To be specific, what could cp2k tell us about RaO and how it compares to its chemical analog, BaO?</div><div><br></div><div>Any advice appreciated,</div><div><br></div><div>Carl</div><div><br></div>
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